SCHEMBL8090805

SCHEMBL8090805

CCCCc1cccc(F)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL21605358 0.94 LIPG (0.46) TYRLIPGALOX5PTGS2BID
SCHEMBL18891689 0.92 LIPG (0.49) TYRLIPGALOX5PTGS2BID
SCHEMBL8097092 0.88 ALDH1A1 (0.42) TAAR1ALDH1A1GAA
Ammonia Solution, Strong SCHEMBL6195329 0.86 ALDH1A1 (0.41) TAAR1ALDH1A1GAA
SCHEMBL10982682 0.85 LIPG (0.45) TYRLIPGALOX5PTGS2BID
SCHEMBL6195324 0.84 MPO (0.49) TAAR1
SCHEMBL27660867 0.82 ALOX5 (0.41) TYRLIPGALOX5PTGS2TAAR1
SCHEMBL9419248 0.82 TYR (0.41) TYRLIPGALOX5PTGS2TAAR1
SCHEMBL1073302 0.81 TAAR1 (0.58) TYRLIPGTAAR1CYP3A4CYP2D6
SCHEMBL630180 0.79 LIPG (0.41) TYRLIPGALOX5PTGS2TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
WO-2019179928-A1 SUBSTITUTED SUCCINIMIDE-3-CARBOXAMIDES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 WO disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed