SCHEMBL4564342

SCHEMBL4564342

Cc1cc(Cc2ccc(C(=O)N[C@@H]3COCC[C@@]34NC(=O)NC4=O)cc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.59
MMP3 P08254 1/20 0.59
MMP7 P09237 1/20 0.59
MMP10 P09238 1/20 0.59
MMP13 P45452 1/20 0.56
MMP2 P08253 1/20 0.51

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
SCHEMBL4050623 1.00 ADAM17 (0.59) ADAM17MMP3MMP7MMP10MMP13
SCHEMBL4050616 1.00 ADAM17 (0.59) ADAM17MMP3MMP7MMP10MMP13
SCHEMBL4051704 0.88 MMP13 (0.73) ADAM17MMP13MMP2
SCHEMBL4563778 0.88 MMP13 (0.73) ADAM17MMP13MMP2
SCHEMBL4051699 0.88 MMP13 (0.73) ADAM17MMP13MMP2
SCHEMBL4052485 0.87 ADAM17 (0.59) ADAM17MMP3MMP7MMP10MMP13
SCHEMBL4052563 0.87 ADAM17 (0.59) ADAM17MMP3MMP7MMP10MMP13
SCHEMBL4052481 0.87 ADAM17 (0.59) ADAM17MMP3MMP7MMP10MMP13
SCHEMBL4054760 0.86 ADAM17 (0.61) ADAM17MMP3MMP7MMP10MMP13
SCHEMBL4054753 0.86 ADAM17 (0.61) ADAM17MMP3MMP7MMP10MMP13

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
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP claimed