SCHEMBL3720169

SCHEMBL3720169

CC(=O)NC(C)c1ccc2cc(O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.51
ALOX5 P09917 1/20 0.49
ACACB O00763 11/20 0.47
ACACA Q13085 5/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3726452 0.85 ACACB (0.59) ALOX5ACACBACACA
SCHEMBL14986294 0.85 MMP9 (0.69) MMP9ALOX5ACACBACACAMEN1
SCHEMBL7734521 0.85 MMP9 (0.69) MMP9ALOX5ACACBACACAMEN1
SCHEMBL15022611 0.82 ACACB (0.54) ACACBACACA
SCHEMBL6966307 0.82 ACACB (0.54) ACACBACACA
SCHEMBL3721881 0.82 CYP1A2 (0.54) MMP9ALOX5ACACBACACA
SCHEMBL3720744 0.82 ACACB (0.51) ALOX5ACACBACACA
SCHEMBL3727288 0.81 ACACB (0.46) ALOX5ACACBACACAMEN1KMT2A
SCHEMBL3720090 0.81 ACACB (0.46) ALOX5ACACBACACA
SCHEMBL3719875 0.81 ALOX5 (0.74) ALOX5ACACBCYP2C9

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