SCHEMBL9753077

SCHEMBL9753077

CCOC(=O)c1c(C(C)C)nn2c(C)cc(C)c2c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GCGR P47871 1/20 0.43
MAPT P10636 3/20 0.43
DGAT1 O75907 1/20 0.42
SOAT1 P35610 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC10A2 Q12908 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GRM6 O15303 1/20 0.39
PRKCZ Q05513 1/20 0.39
CHRNA7 P36544 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL27346853 0.86 PPARA (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9753480 0.84 GCGR (0.42) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9752936 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3820745 0.83 MAPT (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9753340 0.79 GCGR (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3822819 0.79 GCGR (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5089841 0.79 GCGR (0.43) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL5089700 0.78 GCGR (0.38) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5094505 0.78 GCGR (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5095559 0.78 GCGR (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed