SCHEMBL29197409

SCHEMBL29197409

CCCCCc1cccc(OC)c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.60
ALOX5 P09917 2/20 0.60
PPARA Q07869 2/20 0.57
ELANE P08246 3/20 0.49
BCHE P06276 2/20 0.45
PPARG P37231 1/20 0.45
CTSG P08311 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
LIPG Q9Y5X9 1/20 0.42

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
SCHEMBL27592183 0.95 ALOX5 (0.54) PTGS2ALOX5PPARAELANEBCHE
SCHEMBL9876117 0.91 ALOX5 (0.53) PTGS2ALOX5PPARAELANECTSG
SCHEMBL9875539 0.91 ALOX5 (0.53) PTGS2ALOX5PPARAELANECTSG
SCHEMBL9875656 0.91 ALOX5 (0.53) PTGS2ALOX5PPARAELANECTSG
SCHEMBL29005750 0.88 PPARA (0.50) PTGS2ALOX5PPARAPPARGTHRA
SCHEMBL29005814 0.84 ALOX5 (0.44) PTGS2ALOX5PPARAELANEPPARG
SCHEMBL1156862 0.82 PPARA (0.53) PTGS2ALOX5PPARAPPARGTHRA
SCHEMBL22412940 0.82 ALOX5 (0.47) PTGS2ALOX5PPARAELANEBCHE
SCHEMBL4601779 0.81 PPARA (0.48) PTGS2ALOX5PPARAELANEPPARG
SCHEMBL1837756 0.81 PPARA (0.55) PTGS2ALOX5PPARAPPARGTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771130-B Ink composition 日产化学株式会社 2024-03-29 CN disclosed