SCHEMBL8401389

SCHEMBL8401389

NC(=O)/C=C\C(=O)Oc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
POLB P06746 2/20 0.46
PARP1 P09874 1/20 0.43
BCHE P06276 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.39
PELI1 Q96FA3 1/20 0.39
STS P08842 1/20 0.39
NPC1 O15118 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL689426 0.91 CYP3A4 (0.66) CYP3A4MEN1KMT2AESR1ESR2
SCHEMBL689595 0.91 CYP3A4 (0.66) CYP3A4MEN1KMT2AESR1ESR2
SCHEMBL689425 0.91 CYP3A4 (0.66) CYP3A4MEN1KMT2AESR1ESR2
SCHEMBL27686557 0.84 CYP3A4 (0.58) CYP3A4MEN1KMT2AESR1ESR2
SCHEMBL27686552 0.84 CYP3A4 (0.58) CYP3A4MEN1KMT2AESR1ESR2
SCHEMBL9469156 0.83 PARP10 (0.46) MEN1KMT2AESR1ESR2MAPT
SCHEMBL29331106 0.83 CYP3A4 (0.61) CYP3A4MEN1KMT2AESR1ESR2
SCHEMBL9248781 0.80 HPGD (0.48) MEN1KMT2AMAOBMAPTL3MBTL1
SCHEMBL3641396 0.80 MEN1 (0.76) CYP3A4MEN1KMT2AESR1ESR2
SCHEMBL7459980 0.78 PARP10 (0.46) MEN1KMT2AESR1ESR2BCHE

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-5872167-A IMPROVED PEEL ADHESION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-02-16 US disclosed