SCHEMBL9579502

SCHEMBL9579502

CCCCCCCCCCCCCCCCOOC(=O)/C=C\C(=O)OOCCCCCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.56
ATM Q13315 1/20 0.52
TSHR P16473 3/20 0.46
NAAA Q02083 1/20 0.45
CES2 O00748 2/20 0.44
EPHX1 P07099 1/20 0.42
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
DGKA P23743 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL27511732 0.91 ATM (0.61) HCAR2ATMTSHRNAAADGKA
SCHEMBL27831671 0.91 HCAR2 (0.62) HCAR2ATMTSHRNAAAEPHX1
SCHEMBL10615595 0.85 TSHR (0.50) HCAR2TSHRNAAACES2EPHX1
SCHEMBL692722 0.84 HCAR2 (0.67) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL31520137 0.84 TSHR (0.55) HCAR2ATMTSHRNAAACES2
SCHEMBL28023258 0.84 TSHR (0.55) HCAR2ATMTSHRNAAACES2
SCHEMBL692723 0.84 HCAR2 (0.67) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL22575945 0.84 HCAR2 (0.67) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL2212245 0.84 ATM (0.53) HCAR2ATMTSHRCES2MAPT
SCHEMBL28228300 0.84 TSHR (0.55) HCAR2ATMTSHRNAAACES2

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
US-5191009-A Catalytic polymerization of monomers and neutralization with ammonia THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-03-02 US disclosed