SCHEMBL7742504

SCHEMBL7742504

COc1cccc(CC(CC(CO)NC(=O)c2ccc(Cl)cc2)C(=O)NO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP12 P39900 2/20 0.49
HDAC1 Q13547 1/20 0.46
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ANPEP P15144 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
CNR1 P21554 1/20 0.43
PTGS2 P35354 2/20 0.42
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
LIMK1 P53667 1/20 0.41
PRKG2 Q13237 1/20 0.41
ROCK1 Q13464 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
SCHEMBL7742508 1.00 MMP2 (0.49) MMP2MMP9MMP12HDAC1MDM2
SCHEMBL7742654 0.91 MMP2 (0.50) MMP2MMP9MMP12HDAC1LMNA
SCHEMBL7742651 0.91 MMP2 (0.50) MMP2MMP9MMP12HDAC1LMNA
SCHEMBL7740956 0.88 RAB9A (0.54) MMP2MMP9MMP12HDAC1ALDH1A1
SCHEMBL7740960 0.88 RAB9A (0.54) MMP2MMP9MMP12HDAC1ALDH1A1
SCHEMBL7740456 0.87 MMP2 (0.46) MMP2MMP9MMP12HDAC1ALDH1A1
SCHEMBL7740459 0.87 MMP2 (0.46) MMP2MMP9MMP12HDAC1ALDH1A1
SCHEMBL7742522 0.87 HDAC1 (0.41) HDAC1MDM2ALDH1A1LMNAANPEP
SCHEMBL7742518 0.87 HDAC1 (0.41) HDAC1MDM2ALDH1A1LMNAANPEP
SCHEMBL7740799 0.81 HSD17B2 (0.45) MMP2MMP9HDAC1MDM2ALDH1A1

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