SCHEMBL28065817

SCHEMBL28065817

COCCOc1cnc2ccc(CC(C)(C)CC(=O)O)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.45
ALDH1A1 P00352 3/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 1/20 0.40
TBXA2R P21731 7/20 0.40
LMNA P02545 1/20 0.39
CBFB Q13951 1/20 0.39
PDE10A Q9Y233 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL2698219 0.79 ALDH1A1 (0.43) METALDH1A1GLAHPGDKDM4E
SCHEMBL187290 0.78 CBFB (0.57) METALDH1A1GLAHPGDF2
SCHEMBL27856123 0.76 ALDH1A1 (0.46) METALDH1A1GLAHPGDKDM4E
SCHEMBL359222 0.76 MET (0.47) METALDH1A1GLAHPGDF2
SCHEMBL370132 0.76 CBFB (0.46) METALDH1A1GLAHPGDF2
SCHEMBL359221 0.73 ALDH1A1 (0.50) METALDH1A1GLAHPGDGAA
SCHEMBL358992 0.73 EGFR (0.42) METALDH1A1GLAHPGDKDM4E
SCHEMBL2697677 0.71 PTGS1 (0.66) METALDH1A1GLAHPGDKDM4E
SCHEMBL187431 0.70 FBP1 (0.44) METALDH1A1GLAHPGDF2
SCHEMBL358693 0.70 CNR1 (0.47) METALDH1A1GLAHPGDF2

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
CN-102007125-B fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2016-05-25 CN disclosed