SCHEMBL6595322

SCHEMBL6595322

Cc1cc(COc2ccc(CC(=O)[N+]3(CC(=O)O)Cc4ccccc4C3)cc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.49
MMP3 P08254 1/20 0.49
MMP2 P08253 1/20 0.48
MMP13 P45452 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
SCHEMBL4055405 0.82 ADAM17 (0.58) ADAM17MMP3MMP2MMP13
Hydrochloric Acid SCHEMBL4054029 0.78 ADAM17 (0.56) ADAM17MMP3MMP2MMP13
SCHEMBL5887489 0.74 ADAM17 (0.58) ADAM17MMP3MMP13
SCHEMBL1504715 0.73 ADAM17 (0.64) ADAM17MMP3MMP2MMP13
SCHEMBL6596846 0.73 ADAM17 (0.53) ADAM17MMP3MMP2MMP13
SCHEMBL5887895 0.73 ADAM17 (0.61) ADAM17MMP3MMP2MMP13
SCHEMBL6632245 0.73 ADAM17 (0.63) ADAM17MMP3MMP2MMP13
SCHEMBL5887679 0.72 ADAM17 (0.58) ADAM17MMP3MMP2MMP13
SCHEMBL6291728 0.72 ADAM17 (0.58) ADAM17MMP3MMP2MMP13
SCHEMBL5887571 0.72 ADAM17 (0.58) ADAM17MMP3MMP2MMP13

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-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP disclosed