SCHEMBL7740982

SCHEMBL7740982

COCCOCOCC(CC(COCc1ccccc1)C(=O)NO)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSG P08311 5/20 0.40
CMA1 P23946 4/20 0.40
PRSS1 P07477 2/20 0.40
CTRB1 P17538 2/20 0.40
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
MMP12 P39900 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL7740986 1.00 CTSG (0.40) CTSGCMA1PRSS1CTRB1MMP2
SCHEMBL7741000 0.92 CTSG (0.44) CTSGCMA1PRSS1CTRB1
SCHEMBL7740994 0.92 CTSG (0.44) CTSGCMA1PRSS1CTRB1
SCHEMBL7739337 0.91 MEN1 (0.40) CTSGCMA1PRSS1CTRB1MMP2
SCHEMBL7739341 0.91 MEN1 (0.40) CTSGCMA1PRSS1CTRB1MMP2
SCHEMBL7742558 0.90 MEN1 (0.41) CTSGCMA1PRSS1CTRB1MMP2
SCHEMBL7742562 0.90 MEN1 (0.41) CTSGCMA1PRSS1CTRB1MMP2
SCHEMBL7741174 0.84 MEN1 (0.38) CTSGCMA1PRSS1CTRB1MMP2
SCHEMBL7741183 0.84 MEN1 (0.38) CTSGCMA1PRSS1CTRB1MMP2
SCHEMBL6300445 0.84 MEN1 (0.40) CTSGCMA1PRSS1CTRB1MMP2

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
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed