SCHEMBL7400903

SCHEMBL7400903

Cc1cc(CCOc2ccc(C(=O)NCCC(=O)NO)cc2)c2ccccc2n1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
ADAMTS4 O75173 3/20 0.52
MMP3 P08254 3/20 0.52
ADAMTS1 Q9UHI8 3/20 0.52
ADAMTS5 Q9UNA0 3/20 0.52
MMP7 P09237 2/20 0.52
MMP8 P22894 2/20 0.52
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
ADAM10 O14672 1/20 0.51
MMP1 P03956 1/20 0.51
MMP10 P09238 1/20 0.51
MMP14 P50281 1/20 0.51
MMP15 P51511 1/20 0.51
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50

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
SCHEMBL6598359 0.90 ADAM17 (0.70) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL7402595 0.83 ADAM17 (0.63) ADAM17SMN1; SMN2MMP3ADAM10MMP1
SCHEMBL7404997 0.82 SMN1; SMN2 (0.54) ADAM17SMN1; SMN2ADAM10MMP1
SCHEMBL7404234 0.82 ADAM17 (0.55) ADAM17ADAM10MMP1MMP2
SCHEMBL7404737 0.81 ADAM17 (0.53) ADAM17SMN1; SMN2ADAMTS4MMP3ADAMTS1
SCHEMBL7407612 0.81 ADAM17 (0.51) ADAM17SMN1; SMN2ADAMTS4MMP3ADAMTS1
SCHEMBL6629881 0.81 SMN1; SMN2 (0.55) ADAM17SMN1; SMN2HTTPKMMMP2
SCHEMBL1504768 0.81 ADAM17 (0.64) ADAM17SMN1; SMN2MMP3ADAM10MMP1
SCHEMBL7403677 0.81 ADAM17 (0.61) ADAM17SMN1; SMN2MMP3ADAM10MMP1
SCHEMBL7400907 0.80 SMN1; SMN2 (0.53) ADAM17SMN1; SMN2ADAMTS4MMP3ADAMTS1

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