SCHEMBL7740945

SCHEMBL7740945

COc1cccc(C[C@@H](C[C@@H](CO)NC(=O)c2ccc(Br)s2)C(=O)NO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
POLB P06746 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP12 P39900 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 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
SCHEMBL7740942 1.00 ANPEP (0.43) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7740506 0.87 ANPEP (0.39) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7740504 0.87 ANPEP (0.39) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7741031 0.87 LMNA (0.44) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7741028 0.87 LMNA (0.44) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7742654 0.84 MMP2 (0.50) ANPEPMMP2MMP9MMP12KMT2A
SCHEMBL7742651 0.84 MMP2 (0.50) ANPEPMMP2MMP9MMP12KMT2A
SCHEMBL7742508 0.81 MMP2 (0.49) ANPEPMMP2MMP9MMP12KMT2A
SCHEMBL7742504 0.81 MMP2 (0.49) ANPEPMMP2MMP9MMP12KMT2A
SCHEMBL7740960 0.79 RAB9A (0.54) ANPEPMMP2MMP9MMP12KMT2A

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