SCHEMBL7742685

SCHEMBL7742685

C[C@@H](C[C@@H](CO)NC(=O)c1ccc(Br)cc1)C(=O)NO

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.70
MMP9 P14780 4/20 0.70
MMP12 P39900 4/20 0.70
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
OGG1 O15527 1/20 0.42
CTSB P07858 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL7742676 1.00 MMP2 (0.70) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL5997913 0.82 MMP2 (1.00) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL5997918 0.82 MMP2 (1.00) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL970081 0.82 MMP2 (0.58) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7742784 0.80 MMP2 (0.51) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL7742781 0.80 MMP2 (0.51) MMP2MMP9MMP12ALDH1A1LMNA
SCHEMBL966937 0.79 HTT (0.58) MMP2ALDH1A1LMNAHSP90AA1KMT2A
SCHEMBL966936 0.79 HTT (0.58) MMP2ALDH1A1LMNAHSP90AA1KMT2A
SCHEMBL7740666 0.73 MMP2 (0.40) MMP2MMP9MMP12CTSB
SCHEMBL7740669 0.73 MMP2 (0.40) MMP2MMP9MMP12CTSB

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