SCHEMBL7796487

SCHEMBL7796487

Cc1ccc(OC(=O)NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
MLYCD O95822 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
CYP1A2 P05177 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7799039 0.93 BCHE (0.37) MLYCDALDH1A1BCHEACHECYP1A2
SCHEMBL7800188 0.92 GAA (0.42) PPARGPPARAL3MBTL1ALDH1A1GAA
SCHEMBL7800262 0.87 CTSL (0.46) ATMALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7800078 0.87 PPARG (0.41) PPARGPPARAL3MBTL1ALDH1A1BCHE
SCHEMBL7797817 0.87 MEN1 (0.41) CYP2C9CYP2C19
SCHEMBL7797836 0.87 NPC1 (0.38) ATML3MBTL1MLYCDALDH1A1GAA
SCHEMBL8178968 0.87 NPC1 (0.38) ATML3MBTL1MLYCDALDH1A1GAA
SCHEMBL7797932 0.86 MMP8 (0.39) ATMMLYCDCYP3A4TSHR
SCHEMBL7799098 0.85 RXFP1 (0.40)
SCHEMBL7789557 0.84 ATM (0.47) PPARGPPARAATMMLYCDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed