SCHEMBL7376262

SCHEMBL7376262

CC(C)(C)OC(=O)N[C@@]1(CCc2ccc([N+](=O)[O-])cc2)CCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
EPHX1 P07099 1/20 0.37
KCNJ1 P48048 4/20 0.37
KCNH2 Q12809 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7372446 0.82 SMN1; SMN2 (0.41) KDM4EKCNJ1KCNH2ALDH1A1TSHR
SCHEMBL319130 0.75 PPIA (0.33)
SCHEMBL7378788 0.72 ALDH1A1 (0.43) KDM4EMMP8EPHX1KCNJ1KCNH2
SCHEMBL974542 0.71 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL7378722 0.71 CTSL (0.39)
SCHEMBL1717941 0.71 MAPT (0.56) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL9667813 0.70 ALDH1A1 (0.46) PPARGPPARAMMP1MMP2MMP9
SCHEMBL7376052 0.70 CTSL (0.36)
SCHEMBL27262445 0.70 PPARG (0.48) PPARGPPARAMMP1MMP2MMP9
SCHEMBL4093183 0.70 MAPT (0.45) PPARGPPARAMMP1MMP2MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed