SCHEMBL7740459

SCHEMBL7740459

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP12 P39900 2/20 0.46
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
FFAR1 O14842 1/20 0.44
HDAC1 Q13547 1/20 0.43
ANPEP P15144 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL7740456 1.00 MMP2 (0.46) MMP2MMP9MMP12TP53NPC1
SCHEMBL7742654 0.88 MMP2 (0.50) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7742651 0.88 MMP2 (0.50) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7739385 0.88 ALDH1A1 (0.41) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7739381 0.88 ALDH1A1 (0.41) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7742508 0.87 MMP2 (0.49) MMP2MMP9MMP12ALDH1A1MAPT
SCHEMBL7742504 0.87 MMP2 (0.49) MMP2MMP9MMP12ALDH1A1MAPT
SCHEMBL7740960 0.85 RAB9A (0.54) MMP2MMP9MMP12RAB9ASMN1; SMN2
SCHEMBL7740956 0.85 RAB9A (0.54) MMP2MMP9MMP12RAB9ASMN1; SMN2
SCHEMBL7741031 0.83 LMNA (0.44) MMP2MMP9MMP12SMN1; SMN2ALDH1A1

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