SCHEMBL15949142

SCHEMBL15949142

Cc1ccc(-c2ccc(C(CC(=O)c3ccncc3)c3ccccc3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLOD1 Q02809 1/20 0.42
HIF1A Q16665 1/20 0.42
GSK3B P49841 5/20 0.41
ROCK1 Q13464 5/20 0.41
CLK4 Q9HAZ1 5/20 0.41
RPS6KA5 O75582 4/20 0.41
AKT1 P31749 4/20 0.41
PRKCD Q05655 4/20 0.41
PRKG2 Q13237 4/20 0.41
PRKG1 Q13976 4/20 0.41
PKN2 Q16513 4/20 0.41

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
SCHEMBL364544 0.83 GPBAR1 (0.62) GSK3BROCK1CLK4RPS6KA5AKT1
SCHEMBL369613 0.83 GPBAR1 (0.62) GSK3BROCK1CLK4RPS6KA5AKT1
SCHEMBL369614 0.83 GPBAR1 (0.62) GSK3BROCK1CLK4RPS6KA5AKT1
SCHEMBL15949109 0.82 HPGD (0.46) HPGDPLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL369594 0.81 ALDH1A1 (0.61) HPGDPLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL15949141 0.80 PLOD2 (0.46) HPGDPLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL15949098 0.79 ALDH1A1 (0.43) HPGDPLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL15949025 0.78 ALDH1A1 (0.42) HPGDPLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL364507 0.76 MGAM (0.52) HPGDPLOD2PLOD3ALDH1A1CYP1A2
SCHEMBL369701 0.76 GPBAR1 (0.68) HPGDPLOD2PLOD3ALDH1A1CYP1A2

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed