SCHEMBL7739586

SCHEMBL7739586

CCOCOCC(CC(Cc1ccccc1)C(=O)NO)NC(=O)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
PRKACA P17612 1/20 0.45
MAPK1 P28482 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
PRKX P51817 1/20 0.45
ROCK1 Q13464 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN2 Q16513 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
PIN1 Q13526 1/20 0.43
CTSL P07711 5/20 0.42
CTSS P25774 4/20 0.41
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7739406 1.00 ROCK2 (0.45) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL7740343 0.93 PIN1 (0.49) PIN1CTSLCTSSMMP8MAPT
SCHEMBL7740348 0.93 PIN1 (0.49) PIN1CTSLCTSSMMP8MAPT
SCHEMBL7739530 0.90 PIN1 (0.44) PIN1CTSLMMP8MAPTCTRB1
SCHEMBL7739536 0.90 PIN1 (0.44) PIN1CTSLMMP8MAPTCTRB1
SCHEMBL7740718 0.89 KMT2A (0.43) PIN1CTSLMMP8MAPTCTRB1
SCHEMBL7740902 0.89 PIN1 (0.43) PIN1CTSLMMP8MAPTCTRB1
SCHEMBL7741209 0.89 PIN1 (0.43) PIN1CTSLMMP8MAPTCTRB1
SCHEMBL7740721 0.89 KMT2A (0.43) PIN1CTSLMMP8MAPTCTRB1
SCHEMBL7740904 0.89 PIN1 (0.43) PIN1CTSLMMP8MAPTCTRB1

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 2 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 disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed