SCHEMBL7741303

SCHEMBL7741303

CCOCOCC(CC(C)C(=O)NO)NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
MMP12 P39900 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7741307 1.00 ATM (0.48) ATMMMP2MMP9MMP12MEN1
SCHEMBL7740992 0.88 MMP2 (0.47) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7740998 0.88 MMP2 (0.47) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7735029 0.84 ALDH1A1 (0.41) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7735021 0.84 ALDH1A1 (0.41) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7742527 0.83 AR (0.41) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7739440 0.83 ALDH1A1 (0.43) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL7739445 0.83 ALDH1A1 (0.43) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL7742529 0.83 AR (0.41) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7741135 0.81 SMN1; SMN2 (0.45) MMP2MMP9MMP12GAACYP1A2

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