SCHEMBL7740112

SCHEMBL7740112

CCOCOCC(CC(Cc1ccccc1)C(=O)NO)NC(=O)c1ccc(C#CI)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
PIN1 Q13526 1/20 0.39
CTSL P07711 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 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
SCHEMBL7740117 1.00 ACACB (0.41) ACACBPIN1CTSLGAARAB9A
SCHEMBL7742647 0.89 CTSG (0.46) PIN1CTSLGAARAB9A
SCHEMBL7742643 0.89 CTSG (0.46) PIN1CTSLGAARAB9A
SCHEMBL7740348 0.89 PIN1 (0.49) PIN1CTSLGAARAB9A
SCHEMBL7740343 0.89 PIN1 (0.49) PIN1CTSLGAARAB9A
SCHEMBL7734835 0.88 PIN1 (0.43) PIN1CTSLGAARAB9A
SCHEMBL7734831 0.88 PIN1 (0.43) PIN1CTSLGAARAB9A
SCHEMBL7739536 0.88 PIN1 (0.44) PIN1CTSLGAARAB9A
SCHEMBL7739530 0.88 PIN1 (0.44) PIN1CTSLGAARAB9A
SCHEMBL7741209 0.87 PIN1 (0.43) PIN1CTSLGAARAB9A

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