SCHEMBL24704161

SCHEMBL24704161

CCOC(=O)/C(C#N)=C(/c1ccc(OC)cc1)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
CYP19A1 P11511 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL13236536 0.90 CYP19A1 (0.56) NPC1RAB9ACYP19A1ALDH1A1LMNA
SCHEMBL1998828 0.90 CYP19A1 (0.56) NPC1RAB9ACYP19A1ALDH1A1LMNA
SCHEMBL11983343 0.90 CYP19A1 (0.56) NPC1RAB9ACYP19A1ALDH1A1LMNA
SCHEMBL12433229 0.88 NPC1 (0.54) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL1175407 0.88 NPC1 (0.54) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL12433231 0.85 NPC1 (0.42) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL1176115 0.84 NPC1 (0.52) NPC1RAB9ACASP3SENP7CYP19A1
SCHEMBL29115857 0.81 PTGS2 (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7158160 0.81 KDM4E (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7158155 0.81 KDM4E (0.48) NPC1RAB9AMEN1KMT2AALDH1A1

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
WO-2022255228-A1 COMPOSITION, CURED PRODUCT OR COMPACT, OPTICAL MEMBER, AND LENS 富士フイルム株式会社 2022-12-08 WO disclosed