SCHEMBL7401098

SCHEMBL7401098

Cc1cc(C(C)Oc2ccc(C(=O)NC3(CC(=O)NO)CCC(=O)CC3)cc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.61
ADAMTS4 O75173 2/20 0.59
MMP3 P08254 2/20 0.59
MMP7 P09237 2/20 0.59
ADAMTS1 Q9UHI8 2/20 0.59
ADAMTS5 Q9UNA0 2/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.56

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
SCHEMBL7399912 0.90 ADAM17 (0.73) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL7403315 0.88 ADAM17 (0.74) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL7405015 0.88 ADAM17 (0.64) ADAM17MMP13
SCHEMBL7404850 0.88 ADAM17 (0.58) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL7397813 0.88 ADAM17 (0.60) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL7399768 0.87 ADAM17 (0.66) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL7401790 0.87 ADAM17 (0.62) ADAM17MMP13
SCHEMBL7395058 0.86 ADAM17 (0.57) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL7399734 0.86 ADAM17 (0.64) ADAM17MMP13
SCHEMBL7404235 0.86 ADAM17 (0.60) ADAM17ADAMTS4MMP3MMP7ADAMTS1

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 4 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 claimed
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 claimed
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