SCHEMBL7740356

SCHEMBL7740356

O=C(N[C@H](CO)C[C@@H](Cc1ccccc1)C(=O)O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
RPS6KA4 O75676 1/20 0.48
PRKACA P17612 1/20 0.48
MAPK1 P28482 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
PRKX P51817 1/20 0.48
ROCK1 Q13464 1/20 0.48
PRKG1 Q13976 1/20 0.48
PKN2 Q16513 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
SGK2 Q9HBY8 1/20 0.48
ADCY6 O43306 2/20 0.47
ADCY3 O60266 2/20 0.47
ADCY9 O60503 2/20 0.47
ADCY5 O95622 2/20 0.47
ADCY8 P40145 2/20 0.47
GCGR P47871 2/20 0.47

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
SCHEMBL7740353 1.00 ROCK2 (0.48) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL7735239 0.92 ADCY6 (0.47) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL7735240 0.92 ADCY6 (0.47) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL7740705 0.86 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740713 0.86 ADCY6 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7740181 0.84 ADCY6 (0.45) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL7740178 0.84 ADCY6 (0.45) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL7740709 0.83 ADCY6 (0.46) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7741085 0.81 MMP12 (0.50) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL7741089 0.81 MMP12 (0.50) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1

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