SCHEMBL7740960

SCHEMBL7740960

COc1cccc(C[C@@H](C[C@@H](CO)NC(=O)c2ccc(C#N)cc2)C(=O)NO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CTSL P07711 2/20 0.44
HDAC1 Q13547 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ANPEP P15144 1/20 0.42
PIN1 Q13526 1/20 0.42
SMPD1 P17405 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL7740956 1.00 RAB9A (0.54) RAB9AMMP2MMP9MMP12L3MBTL1
SCHEMBL7742654 0.89 MMP2 (0.50) MMP2MMP9MMP12CTSLHDAC1
SCHEMBL7742651 0.89 MMP2 (0.50) MMP2MMP9MMP12CTSLHDAC1
SCHEMBL7742508 0.88 MMP2 (0.49) MMP2MMP9MMP12HDAC1TAS1R3
SCHEMBL7742504 0.88 MMP2 (0.49) MMP2MMP9MMP12HDAC1TAS1R3
SCHEMBL7735223 0.87 RAB9A (0.49) RAB9AL3MBTL1CTSLHDAC1TAS1R3
SCHEMBL7735224 0.87 RAB9A (0.49) RAB9AL3MBTL1CTSLHDAC1TAS1R3
SCHEMBL7740456 0.85 MMP2 (0.46) RAB9AMMP2MMP9MMP12L3MBTL1
SCHEMBL7740459 0.85 MMP2 (0.46) RAB9AMMP2MMP9MMP12L3MBTL1
SCHEMBL27175223 0.79 RAB9A (0.65) RAB9AL3MBTL1CTSLHDAC1MEN1

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