SCHEMBL7741135

SCHEMBL7741135

CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 7/20 0.43
GAA P10253 2/20 0.43
CTSD P07339 1/20 0.42
CYP2C19 P33261 2/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP12 P39900 4/20 0.41
GLA P06280 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7741132 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1GAACTSDCYP2C19
SCHEMBL7740998 0.82 MMP2 (0.47) SMN1; SMN2ALDH1A1GAAMMP2MMP9
SCHEMBL7740992 0.82 MMP2 (0.47) SMN1; SMN2ALDH1A1GAAMMP2MMP9
SCHEMBL7735029 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAMMP2MMP9
SCHEMBL7735021 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAMMP2MMP9
SCHEMBL7741303 0.81 ATM (0.48) SMN1; SMN2ALDH1A1GAAMMP2MMP9
SCHEMBL7741307 0.81 ATM (0.48) SMN1; SMN2ALDH1A1GAAMMP2MMP9
SCHEMBL7742529 0.81 AR (0.41) ALDH1A1GAAMMP2MMP9MMP12
SCHEMBL7742527 0.81 AR (0.41) ALDH1A1GAAMMP2MMP9MMP12
SCHEMBL7739445 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1RAB9AHPGDKDM4E

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