SCHEMBL7404233

SCHEMBL7404233

Cc1cc(CCOc2ccc(C(=O)NC(C)(C(=O)NO)C3CCCCC3)cc2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.49
MMP2 P08253 1/20 0.48
ADAM10 O14672 1/20 0.48
MMP1 P03956 1/20 0.48

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
SCHEMBL7404997 0.79 SMN1; SMN2 (0.54) ADAM17ADAM10MMP1
SCHEMBL7407957 0.79 ADAM17 (0.58) ADAM17MMP2ADAM10MMP1
SCHEMBL7404734 0.76 ADAM17 (0.60) ADAM17MMP2ADAM10MMP1
SCHEMBL7407958 0.75 ADAM17 (0.57) ADAM17MMP2ADAM10MMP1
SCHEMBL6629881 0.75 SMN1; SMN2 (0.55) ADAM17MMP2
SCHEMBL7400903 0.75 ADAM17 (0.58) ADAM17MMP2ADAM10MMP1
SCHEMBL7401359 0.74 ADAM17 (0.61) ADAM17MMP2
SCHEMBL7404234 0.74 ADAM17 (0.55) ADAM17MMP2ADAM10MMP1
SCHEMBL7403330 0.74 ADAM17 (0.54) ADAM17MMP2ADAM10MMP1
SCHEMBL7404737 0.74 ADAM17 (0.53) ADAM17MMP2

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
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed