SCHEMBL7740998

SCHEMBL7740998

CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
MMP12 P39900 4/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL7740992 1.00 MMP2 (0.47) MMP2MMP9MMP12RAB9ANPC1
SCHEMBL7734828 0.90 RAB9A (0.47) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7734825 0.90 RAB9A (0.47) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6298026 0.89 MAPT (0.41) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6298024 0.89 MAPT (0.41) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7741303 0.88 ATM (0.48) MMP2MMP9MMP12RAB9ANPC1
SCHEMBL7741307 0.88 ATM (0.48) MMP2MMP9MMP12RAB9ANPC1
SCHEMBL7740239 0.88 RAB9A (0.40) MMP2MMP9MMP12RAB9ANPC1
SCHEMBL7740242 0.88 RAB9A (0.40) MMP2MMP9MMP12RAB9ANPC1
SCHEMBL7740508 0.87 USP21 (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT

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