SCHEMBL3720775

SCHEMBL3720775

CC(=O)NC(C)c1ccc2cc(Oc3ccc(Oc4cnccn4)cc3Cl)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.49
KMT2A Q03164 1/20 0.46
ACACA Q13085 4/20 0.45
BRAF P15056 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3721544 0.87 ACACB (0.47) ACACBACACACYP3A4CYP2C9
SCHEMBL3717191 0.85 ACACB (0.47) ACACBACACA
SCHEMBL3724748 0.85 ACACB (0.47) ACACBACACA
SCHEMBL3721369 0.84 ALDH1A1 (0.50) ACACBACACA
SCHEMBL3724565 0.83 ACACB (0.47) ACACBACACACYP3A4CYP2C9
SCHEMBL3719663 0.82 ACACB (0.56) ACACBACACA
SCHEMBL3798078 0.82 ALOX5 (0.57) ACACBKMT2AACACA
SCHEMBL13077221 0.82 ACACB (0.57) ACACBACACA
SCHEMBL3717143 0.82 ACACB (0.46) ACACBACACACYP2C9
SCHEMBL3716764 0.81 ACACB (0.54) ACACBACACA

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