SCHEMBL3716940

SCHEMBL3716940

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.42
FFAR1 O14842 2/20 0.40
MAPT P10636 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PARG Q86W56 1/20 0.38
AGPAT2 O15120 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL3726994 0.82 ACACB (0.42) ACACBFFAR1MAPTSMN1; SMN2PARG
SCHEMBL16954839 0.77 SMN1; SMN2 (0.52) MAPTGLASMN1; SMN2S1PR1S1PR3
SCHEMBL3716937 0.77 AKR1C3 (0.51) ACACBFFAR1MAPTPARGAKR1C3
SCHEMBL3726992 0.77 ESRRA (0.53) ACACBMAPTSMN1; SMN2PARGAKR1C3
SCHEMBL9503543 0.76 MAPT (0.49) ACACBFFAR1MAPTGLASMN1; SMN2
SCHEMBL3726441 0.76 RAB9A (0.38) ACACBMAPTSMN1; SMN2PARG
SCHEMBL3720106 0.73 SMN1; SMN2 (0.49) ACACBGLASMN1; SMN2
SCHEMBL9379864 0.73 SMN1; SMN2 (0.50) MAPTSMN1; SMN2
SCHEMBL3786617 0.72 NQO1 (0.52) FFAR1MAPTSMN1; SMN2FFAR4
SCHEMBL17050832 0.72 ACACB (0.57) ACACBFFAR1MAPTFFAR4

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