SCHEMBL33953

SCHEMBL33953

Clc1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.65
CES1 P23141 3/20 0.65
TSHR P16473 3/20 0.53
ALOX15 P16050 1/20 0.52
CYP1A2 P05177 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
NR4A1 P22736 1/20 0.48
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
TRPV6 Q9H1D0 1/20 0.46
SRD5A2 P31213 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
PTGS2 P35354 2/20 0.45
CYP1B1 Q16678 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL8346950 1.00 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL4088043 0.88 CES2 (0.58) CES2CES1TSHRALOX15L3MBTL1
SCHEMBL3138767 0.84 CES2 (0.54) CES2CES1TSHRALOX15L3MBTL1
SCHEMBL9971796 0.83 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL14119105 0.83 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL14119103 0.83 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL143 0.82 CES1 (0.53) CES2CES1TSHRALOX15L3MBTL1
SCHEMBL912515 0.79 CES2 (1.00) CES2CES1TSHRALOX15L3MBTL1
SCHEMBL3695975 0.79 CES2 (0.60) CES2CES1TSHRALOX15CYP1A2
SCHEMBL6493746 0.79 CES2 (0.60) CES2CES1TSHRALOX15CYP1A2

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

Appears in 2512 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392071-A1 METHOD OF SYNTHESIZING DENDRIMERIC AMPHIPHILE Kaohsiung Medical University (TW) 2024-07-03 EP claimed
CN-113735927-B Nucleotide analogue and preparation method and application thereof 厦门蔚扬药业有限公司 2024-06-28 CN claimed
US-20240199687-A1 SUBSTITUTION OF HISTIDINE WITH 2-THIOHISTIDINE IN BIOACTIVE PEPTIDES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2024-06-20 US claimed
WO-2024102186-A2 COMPOSITIONS AND METHODS FOR CHEMOPROTEOMIC REAGENT SYNTHESIS AND APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-16 WO claimed
CN-114702380-B Method for co-producing p-chlorobenzoyl chloride and hexanoyl chloride and acyl chloride product thereof 河南特格纳特科技有限公司 2024-03-19 CN claimed
CN-117720543-A Preparation method of barytinib 东北林业大学 2024-03-19 CN claimed
EP-4326302-A1 SUBSTITUTION OF HISTIDINE WITH 2-THIOHISTIDINE IN BIOACTIVE PEPTIDES University of Vermont and State Agricultural College (US) 2024-02-28 EP claimed
CN-117586118-A Recovery method of o (p) chlorobenzoic acid as byproduct of o (p) chlorobenzaldehyde 山东道可化学有限公司 2024-02-23 CN claimed
US-20240002460-A1 A PROCESS FOR PRODUCING EGF CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2024-01-04 US claimed
EP-3625243-B1 TAILORED CYCLODEPSIPEPTIDES AS POTENT NON-COVALENT SERINE PROTEASE INHIBITORS UNIV DUISBURG ESSEN (DE) 2023-10-18 EP claimed
WO-2003072597-A1 INTERMEDIATES AND METHODS FOR MAKING HEPTAPEPTIDE OXYTOCIN ANALOGUES FERRING BV (NL) 2003-09-04 WO claimed
EP-1179537-A1 SOLID PHASE PEPTIDE SYNTHESIS METHOD Lipotec, S.A. (ES) 2002-02-13 EP claimed
WO-2000058267-A1 ENHANCED SELECTIVITY IN THE SYNTHESIS OF DTPA ESTERS FOM DIETHYLENETRIAMINE MALLINCKRODT INC. (US) 2000-10-05 WO claimed
WO-2000058265-A1 PREPARATION OF DTPA ESTERS WITH DIFFERENT ESTER GROUPS MALLINCKRODT INC. (US) 2000-10-05 WO claimed
WO-2000058269-A1 DTPA ESTERS WITH ORTHOGONAL REMOVABLE PROTECTING GROUPS MALLINCKRODT INC. (US) 2000-10-05 WO claimed
WO-2000058266-A1 DIVERGENT METHOD FOR THE SYNTHESIS OF DIETHYLENE TRIAMINEPENTA ACETICACID ESTERS MALLINCKRODT INC. (US) 2000-10-05 WO claimed
WO-2000058264-A1 METHOD FOR THE SYNTHESIS OF NON-SYMMETRICAL DTPA COMPOUNDS MALLINCKRODT INC. (US) 2000-10-05 WO claimed
EP-0934076-A1 SOLID PHASE LIPOGLYCOPEPTIDE LIBRARY, COMPOSITIONS AND METHODS Intercardia, Inc. (US) 1999-08-11 EP claimed
EP-0934076-A4 1999-08-11 EP claimed
WO-1997034623-A1 SOLID PHASE LIPOGLYCOPEPTIDE LIBRARY, COMPOSITIONS AND METHODS TRANSCELL TECHNOLOGIES, INC. (US) 1997-09-25 WO claimed