SCHEMBL7741000

SCHEMBL7741000

COCCOCOC[C@H](C[C@H](COCc1ccccc1)C(=O)O)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSG P08311 8/20 0.44
CMA1 P23946 7/20 0.44
PRSS1 P07477 2/20 0.44
CTRB1 P17538 2/20 0.44
SLC1A1 P43005 1/20 0.42
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.36
CYP19A1 P11511 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
SCHEMBL7740994 1.00 CTSG (0.44) CTSGCMA1PRSS1CTRB1SLC1A1
SCHEMBL7740986 0.92 CTSG (0.40) CTSGCMA1PRSS1CTRB1
SCHEMBL7740982 0.92 CTSG (0.40) CTSGCMA1PRSS1CTRB1
SCHEMBL7741230 0.92 MEN1 (0.41) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7741223 0.92 MEN1 (0.41) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7742770 0.91 MEN1 (0.42) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7742759 0.91 MEN1 (0.42) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7740159 0.84 MEN1 (0.39) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7740158 0.84 MEN1 (0.39) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL6304829 0.84 MEN1 (0.41) CTSGCMA1PRSS1CTRB1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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