SCHEMBL7739826

SCHEMBL7739826

CCOCOCC(CC(Cc1cccc(Cl)c1)C(=O)NO)NC(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.49
CTSL P07711 11/20 0.49
CTSB P07858 10/20 0.49
CTSK P43235 9/20 0.49
CTSV O60911 7/20 0.49
PIN1 Q13526 1/20 0.38
P2RY14 Q15391 1/20 0.38
HDAC1 Q13547 2/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL7739831 1.00 CTSS (0.49) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7741070 0.90 PIN1 (0.39) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7741076 0.90 PIN1 (0.39) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7740333 0.89 CTSL (0.45) CTSLPIN1HDAC1
SCHEMBL7740337 0.89 CTSL (0.45) CTSLPIN1HDAC1
SCHEMBL7741044 0.89 MEN1 (0.46) CTSLPIN1P2RY14HDAC1
SCHEMBL7741049 0.89 MEN1 (0.46) CTSLPIN1P2RY14HDAC1
SCHEMBL7740130 0.86 HTT (0.44) CTSLPIN1HTT
SCHEMBL7740127 0.86 HTT (0.44) CTSLPIN1HTT
SCHEMBL7742522 0.86 HDAC1 (0.41) CTSBHDAC1HTT

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
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