SCHEMBL415335

SCHEMBL415335

CCC[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
PSIP1 O75475 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
LTA4H P09960 1/20 0.31
LMNA P02545 3/20 0.31
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fluoride SCHEMBL27660694 0.97 TP53 (0.36) TP53PSIP1CES2CES1PCSK9
SCHEMBL114779 0.85 LTA4H (0.38) TP53CES2CES1PCSK9LTA4H
SCHEMBL416285 0.83 LTA4H (0.38) TP53CES2CES1PCSK9LTA4H
SCHEMBL706709 0.83 CALM1 (0.35) TP53ALDH1A1HPGDLMNATSHR
SCHEMBL561211 0.81 DNM1 (0.40) TP53CES2CES1ALDH1A1LTA4H
SCHEMBL5973640 0.81 DNM1 (0.40) TP53CES2CES1ALDH1A1LTA4H
SCHEMBL28262660 0.81 DNM1 (0.40) TP53CES2CES1ALDH1A1LTA4H
SCHEMBL8992138 0.81 DNM1 (0.40) TP53CES2CES1ALDH1A1LTA4H
SCHEMBL3518057 0.81 DNM1 (0.40) TP53CES2CES1ALDH1A1LTA4H
SCHEMBL25909634 0.81 DNM1 (0.40) TP53CES2CES1ALDH1A1LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 378 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4004538-A1 DETECTION OF VOLATILES Isobionics B.V. (NL) 2022-06-01 EP claimed
WO-2021018782-A1 DETECTION OF VOLATILES ISOBIONICS B.V. (NL) 2021-02-04 WO claimed
US-20100137525-A1 Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer CHI-MEI CORPORATION 2010-06-03 US claimed
US-20080171653-A1 Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer CHI-MEI CORPORATION 2008-07-17 US claimed
US-RE39072-E1 2-aminopropane-1,3-diol compounds, medicinal use thereof, and intermediates in synthesizing the same MITSUBISHI PHARMA CORPORATION (JP) 2006-04-18 US claimed
EP-1002792-B1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2004-07-14 EP claimed
US-6313230-B1 HYDROGENATING CONJUGATED DIENE POLYMERS IN PRESENCE OF HYDROGEN AND A HYDROGENATION CATALYST FORMULATION COMPRISING TITANIUM COMPOUND, SILYL HYDRIDE COMPOUND, POLYSILOXANE, SILAZAN COMPOUND, AND METALLIC COMPOUND INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2001-11-06 US claimed
US-6214873-B1 PREVENTION OR SUPPRESION OF REJECTION OF ORGANS OR BONE MARROW TRANSPLANTATION; TREATMENT OF AUTOIMMUNE DISEASES OR ALLERGIC DISEASES; DECREASE IN TOXICITY AND HIGHER SAFETY WELFIDE CORPORATION (JP) 2001-04-10 US claimed
US-5516871-A Diphenylsiloxane oligomers functionalized at both terminals and methods for the preparation thereof DOW CORNING ASIA, LTD. (JP) 1996-05-14 US claimed
US-20240132675-A1 POLYMER HAVING METAL-OXYGEN-METAL BOND AS PRIMARY CHAIN, COMPOSITION THEREOF, SOLID MATERIAL AND PRODUCTION METHOD THEREOF, AND ELECTRONIC COMPONENT AND FIBER TORAY INDUSTRIES, INC. (JP) 2024-04-25 US disclosed
EP-4056604-B1 METHOD FOR PRODUCING COPOLYMER OF 1,3,7-OCTATRIENE AND STYRENE KURARAY CO (JP) 2023-08-02 EP disclosed
EP-3564280-B1 COPOLYMER OF 1, 3, 7-OCTATRIENE AND STYRENE AND HYDRIDE THEREOF KURARAY CO (JP) 2023-07-26 EP disclosed
EP-4163312-A1 COPOLYMER OF 1,3,7-OCTATRIENE AND ISOPRENE, HYDRIDE THEREOF, AND METHOD FOR PRODUCING SAID COPOLYMER Kuraray Co., Ltd. (JP) 2023-04-12 EP disclosed
EP-4163311-A1 COPOLYMER OF 1,3,7-OCTATRIENE AND ISOPRENE, HYDRIDE THEREOF, AND METHOD FOR PRODUCING SAID COPOLYMER Kuraray Co., Ltd. (JP) 2023-04-12 EP disclosed
WO-1990014826-A1 MACROLIDES FOR THE TREATMENT OF REVERSIBLE OBSTRUCTIVE AIRWAYS DISEASES FISONS PLC (GB) 1990-12-13 WO disclosed
EP-0399579-A1 Macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1990-11-28 EP disclosed
US-4956352-A TREATING AUTOIMMUNE DISEASES, RESISTANCE TO TRANSPLANTATION, INFECTIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
US-4929611-A ANTIBODY INHIBITORS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-29 US disclosed
US-4894366-A Tricyclo compounds, a process for their production and a pharmaceutical composition containing the same FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-01-16 US disclosed
EP-0184162-A2 Tricyclo compounds, a process for their production and a pharmaceutical composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-06-11 EP disclosed