SCHEMBL94527

SCHEMBL94527

CC(C=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL3276265 1.00 ALDH1A3 (0.42) ALDH1A3MTNR1AMTNR1BGAACYP1A2
SCHEMBL9365277 1.00 ALDH1A3 (0.42) ALDH1A3MTNR1AMTNR1BGAACYP1A2
SCHEMBL20863171 0.83 LTA4H (0.52) ALDH1A3CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9421418 0.80 LMNA (0.57) GAACYP1A2CYP2C19LMNAPPARG
SCHEMBL19725387 0.80 HPGD (0.41) ALDH1A3MTNR1AMTNR1BGAACYP1A2
SCHEMBL14233591 0.80 ALDH1A3 (0.45) ALDH1A3TSHRKDM4EMEN1KMT2A
SCHEMBL5803767 0.80 ALDH1A1 (0.50) ALDH1A3MTNR1AMTNR1BCYP1A2CYP2C9
SCHEMBL9844692 0.80 ALDH1A3 (0.45) ALDH1A3TSHRKDM4EMEN1KMT2A
SCHEMBL14233586 0.79 LMNA (0.52) GAAPOLBMEN1KMT2ALMNA
SCHEMBL28292121 0.79 LMNA (0.52) GAAPOLBMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026995-A Dihydrotriazole aromatization precursor and application thereof in deacylating and arylating reaction of ketone 国科大杭州高等研究院 2024-05-14 CN claimed
EP-3080238-A1 AUTOMATIC DISHWASHER DETERGENTS CONTAINING OXAZOLIDINE ODORIFEROUS SUBSTANCE PRECURSORS Henkel AG & Co. KGaA (DE) 2016-10-19 EP claimed
WO-2015086522-A1 AUTOMATIC DISHWASHER DETERGENTS CONTAINING OXAZOLIDINE ODORIFEROUS SUBSTANCE PRECURSORS HENKEL AG & CO. KGAA (DE) 2015-06-18 WO claimed
EP-2809760-A1 PROCESS FOR REDUCING MALODOURS Henkel AG&Co. KGAA (DE) 2014-12-10 EP claimed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP claimed
EP-2691501-A1 ODORANT COMPOSITION CONTAINING ALLYL ETHERS AS ODORANT PRECURSORS Henkel AG&Co. KGAA (DE) 2014-02-05 EP claimed
WO-2013113444-A1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO. KGAA (DE) 2013-08-08 WO claimed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
WO-2012130739-A1 ODORANT COMPOSITION CONTAINING ALLYL ETHERS AS ODORANT PRECURSORS HENKEL AG & CO. KGAA (DE) 2012-10-04 WO claimed
EP-2440643-A1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT Henkel AG & Co. KGaA (DE) 2012-04-18 EP claimed
WO-1994020510-A1 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1994-09-15 WO claimed
EP-0600020-A1 ASYMMETRIC SYNTHESES. UNION CARBIDE CHEM PLASTIC (US) 1994-06-08 EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO claimed
WO-1993003839-A1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-04 WO claimed
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP claimed
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US claimed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed