SCHEMBL7742479

SCHEMBL7742479

CCOCOC[C@H](C[C@H](Cc1cccc(OC)c1)C(=O)NO)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.46
FFAR2 O15552 2/20 0.43
HDAC1 Q13547 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
PPARG P37231 5/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
ANPEP P15144 1/20 0.39
PIN1 Q13526 1/20 0.39
PDE2A O00408 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX2 P34913 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7742477 1.00 CTSL (0.46) CTSLFFAR2HDAC1TAS1R3TAS1R1
SCHEMBL7741049 0.91 MEN1 (0.46) CTSLHDAC1TAS1R3TAS1R1PPARA
SCHEMBL7734789 0.91 HDAC1 (0.42) CTSLHDAC1TAS1R3TAS1R1PPARG
SCHEMBL7734784 0.91 HDAC1 (0.42) CTSLHDAC1TAS1R3TAS1R1PPARG
SCHEMBL7741044 0.91 MEN1 (0.46) CTSLHDAC1TAS1R3TAS1R1PPARA
SCHEMBL7742518 0.90 HDAC1 (0.41) HDAC1TAS1R3TAS1R1PPARAANPEP
SCHEMBL7742522 0.90 HDAC1 (0.41) HDAC1TAS1R3TAS1R1PPARAANPEP
SCHEMBL7742498 0.89 PPARG (0.43) CTSLPPARGPPARDPPARAPIN1
SCHEMBL7742494 0.89 PPARG (0.43) CTSLPPARGPPARDPPARAPIN1
SCHEMBL7740897 0.89 HDAC1 (0.40) CTSLHDAC1TAS1R3TAS1R1PPARA

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