SCHEMBL4783392

SCHEMBL4783392

COc1cc(CC(=O)O)c(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.39
PRKCD Q05655 6/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SELP P16109 1/20 0.37
HPGD P15428 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CXCR6 O00574 1/20 0.35
CHEK1 O14757 2/20 0.34
PDE5A O76074 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL4581544 0.81 PRKCQ (0.42) PRKCQPRKCDKDM4EALDH1A1GAA
SCHEMBL4579980 0.76 KDM4E (0.48) PRKCQPRKCDKDM4EALDH1A1GAA
SCHEMBL4580694 0.75 MAPT (0.44) PRKCQPRKCDKDM4EALDH1A1GAA
SCHEMBL4581755 0.75 ALDH1A1 (0.42) PRKCQPRKCDKDM4EALDH1A1GAA
SCHEMBL4783383 0.75 SMN1; SMN2 (0.45) PRKCQPRKCDMAPTCXCR6NPC1
SCHEMBL4580030 0.74 PRKCQ (0.38) PRKCQPRKCDKDM4EALDH1A1GAA
SCHEMBL4581125 0.73 SRC (0.41) PRKCQPRKCDALDH1A1CXCR6
SCHEMBL4580274 0.72 PRKCQ (0.38) PRKCQPRKCDKDM4EALDH1A1GAA
SCHEMBL4579724 0.71 PGR (0.50) PRKCQPRKCDKDM4EALDH1A1GAA
SCHEMBL4580567 0.71 PRKCQ (0.41) PRKCQPRKCDKDM4EALDH1A1GAA

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-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed