SCHEMBL1503525

SCHEMBL1503525

Cc1cc(COc2ccc(C(=O)NC(C)C(C(=O)O)N3CCCCC3)cc2)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.66
MMP1 P03956 3/20 0.66
ADAM10 O14672 2/20 0.66
MMP3 P08254 2/20 0.56
ADAM33 Q9BZ11 1/20 0.56
MMP2 P08253 2/20 0.54

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
SCHEMBL1504731 0.87 ADAM17 (0.58) ADAM17MMP1ADAM10MMP3MMP2
SCHEMBL2682234 0.85 ADAM17 (0.67) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL1503684 0.84 ADAM17 (0.87) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL1503682 0.84 ADAM17 (0.87) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL1503643 0.80 ADAM17 (0.83) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL12076785 0.80 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL1503524 0.80 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL1503609 0.80 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL1503588 0.80 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3ADAM33
SCHEMBL12076903 0.80 ADAM17 (1.00) ADAM17MMP1ADAM10MMP3ADAM33

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-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed