SCHEMBL7742695

SCHEMBL7742695

CCOCOC[C@H](C[C@H](Cc1ccccc1)C(=O)NO)NC(=O)c1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.43
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MMP12 P39900 4/20 0.42
CTSL P07711 1/20 0.42
PPARG P37231 2/20 0.41
EPHX2 P34913 2/20 0.41
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
CTRB1 P17538 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKACA P17612 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 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
SCHEMBL7742687 1.00 PIN1 (0.43) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7740904 0.93 PIN1 (0.43) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7740902 0.93 PIN1 (0.43) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7740348 0.93 PIN1 (0.49) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7740343 0.93 PIN1 (0.49) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7739536 0.92 PIN1 (0.44) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7739530 0.92 PIN1 (0.44) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7741209 0.91 PIN1 (0.43) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7740718 0.91 KMT2A (0.43) PIN1MMP2MMP9MMP12CTSL
SCHEMBL7740333 0.91 CTSL (0.45) PIN1MMP2MMP9MMP12CTSL

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
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