SCHEMBL7742647

SCHEMBL7742647

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSG P08311 8/20 0.46
CMA1 P23946 7/20 0.44
PRSS1 P07477 2/20 0.42
CTRB1 P17538 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIN1 Q13526 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
CTSL P07711 3/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7742643 1.00 CTSG (0.46) CTSGCMA1PRSS1CTRB1L3MBTL1
SCHEMBL7740348 0.91 PIN1 (0.49) CTRB1PIN1CTSSCTSKCTSL
SCHEMBL7740343 0.91 PIN1 (0.49) CTRB1PIN1CTSSCTSKCTSL
SCHEMBL7739536 0.90 PIN1 (0.44) CTRB1L3MBTL1PIN1CTSLGAA
SCHEMBL7739530 0.90 PIN1 (0.44) CTRB1L3MBTL1PIN1CTSLGAA
SCHEMBL7740112 0.89 ACACB (0.41) PIN1CTSLGAARAB9A
SCHEMBL7740117 0.89 ACACB (0.41) PIN1CTSLGAARAB9A
SCHEMBL7735224 0.89 RAB9A (0.49) CTSGL3MBTL1PIN1CTSLRAB9A
SCHEMBL7735223 0.89 RAB9A (0.49) CTSGL3MBTL1PIN1CTSLRAB9A
SCHEMBL7740333 0.89 CTSL (0.45) CTRB1PIN1CTSLGAARAB9A

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