SCHEMBL3726441

SCHEMBL3726441

CCOc1ccc(Oc2ccc3cc(CCNc4ccon4)ccc3c2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
PTGDR Q13258 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 8/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAP2K7 O14733 1/20 0.35
USP2 O75604 1/20 0.35
PARG Q86W56 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
SCHEMBL3726439 0.80 ACACB (0.39) RAB9AACACBKDM4EMAPTPARG
SCHEMBL3716940 0.76 ACACB (0.42) SMN1; SMN2ACACBMAPTPARG
SCHEMBL3726994 0.72 ACACB (0.42) SMN1; SMN2ACACBKDM4EMAPTPARG
SCHEMBL3723076 0.67 MTNR1A (0.50) SMN1; SMN2ACACBMAPT
SCHEMBL3726992 0.67 ESRRA (0.53) SMN1; SMN2ACACBKDM4EMAPTPARG
SCHEMBL9503543 0.67 MAPT (0.49) SMN1; SMN2ACACBMAPT
SCHEMBL3720106 0.66 SMN1; SMN2 (0.49) SMN1; SMN2ACACBKDM4E
SCHEMBL3720624 0.66 ALDH1A1 (0.49) RAB9ASMN1; SMN2ACACB
SCHEMBL1390808 0.66 RAB9A (0.41) RAB9ASMN1; SMN2ACACBKDM4EMAPT
SCHEMBL3718635 0.65 PPARA (0.45) RAB9ASMN1; SMN2ACACBKDM4EMAPT

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed