SCHEMBL12475997

SCHEMBL12475997

CC(C)Oc1ccc(Oc2ncc(Br)s2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.57
ACACA Q13085 6/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 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
SCHEMBL12476141 0.90 ACACB (0.47) ACACBACACA
SCHEMBL12475857 0.87 ACACB (0.46) ACACBACACACYP2C9CYP2C19
SCHEMBL12475981 0.86 ACACB (0.44) ACACBACACACYP2C9CYP2C19
SCHEMBL12475820 0.85 ACACB (0.44) ACACBACACACYP2C9CYP2C19
SCHEMBL12475966 0.83 ACACB (0.45) ACACBACACACYP2C9CYP2C19
SCHEMBL4740017 0.81 ACACB (0.57) ACACBACACACYP2C9CYP2C19
SCHEMBL12476062 0.81 ACACB (0.55) ACACBACACACYP2C9CYP2C19
SCHEMBL5942875 0.81 ACACB (0.50) ACACBACACACYP2C9CYP2C19
SCHEMBL4816074 0.79 ACACB (0.54) ACACBACACACYP2C9CYP2C19
SCHEMBL4816080 0.79 ACACB (0.54) ACACBACACACYP2C9CYP2C19

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-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed