SCHEMBL4728402

SCHEMBL4728402

O=C(O)c1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.84
MAPT P10636 5/20 0.82
NPC1 O15118 4/20 0.82
RAB9A P51151 4/20 0.82
MAOA P21397 3/20 0.78
MAOB P27338 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 3/20 0.65
CYP2D6 P10635 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 1/20 0.65
KDM4E B2RXH2 1/20 0.65
ATM Q13315 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64

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
SCHEMBL4728397 1.00 STAT3 (0.84) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL29937539 0.91 STAT3 (1.00) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL1430555 0.91 STAT3 (1.00) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL2358032 0.91 STAT3 (1.00) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL7997434 0.90 MAPT (1.00) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL15404139 0.90 MAPT (1.00) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL108665 0.90 MAPT (0.79) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL28553855 0.90 MAPT (0.79) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL28549142 0.87 MAOA (0.76) STAT3MAPTNPC1RAB9AMAOA
SCHEMBL31293615 0.84 NPC1 (1.00) STAT3MAPTNPC1RAB9AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035904-A1 METHOD FOR PROCESSING 4-SUBSTITUTED BENZOIC ACID DERIVATIVES HAVING 3, 4-METHYLENE- OR 3,4-ETHYLENEDIOXYBENZENE MOIETY AND THE USE OF THE SAME FOR ANTIAGING COSMETICS AMOREPACIFIC CORPORATION (KR) 2008-03-27 WO claimed
WO-2008035904-A1 METHOD FOR PROCESSING 4-SUBSTITUTED BENZOIC ACID DERIVATIVES HAVING 3, 4-METHYLENE- OR 3,4-ETHYLENEDIOXYBENZENE MOIETY AND THE USE OF THE SAME FOR ANTIAGING COSMETICS AMOREPACIFIC CORPORATION (KR) 2008-03-27 WO disclosed