SCHEMBL7740130

SCHEMBL7740130

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
PIN1 Q13526 2/20 0.43
CTSL P07711 2/20 0.42
EPHX2 P34913 3/20 0.41
PPARG P37231 2/20 0.41
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP12 P39900 4/20 0.40
MMP8 P22894 1/20 0.40
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CTRB1 P17538 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL7740127 1.00 HTT (0.44) HTTPIN1CTSLEPHX2PPARG
SCHEMBL7740343 0.93 PIN1 (0.49) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7740348 0.93 PIN1 (0.49) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7739536 0.92 PIN1 (0.44) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7739530 0.92 PIN1 (0.44) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7740718 0.91 KMT2A (0.43) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7740902 0.91 PIN1 (0.43) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7740721 0.91 KMT2A (0.43) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7740333 0.91 CTSL (0.45) PIN1CTSLEPHX2PPARGMMP2
SCHEMBL7741209 0.91 PIN1 (0.43) PIN1CTSLEPHX2PPARGMMP2

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