SCHEMBL7796441

SCHEMBL7796441

CC(C)C([C]=O)NC(=O)OCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CTSS P25774 6/20 0.41
CTSL P07711 5/20 0.41
CTSK P43235 4/20 0.41
ELANE P08246 1/20 0.41
CTSB P07858 3/20 0.41
TPSAB1 Q15661 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
AAK1 Q2M2I8 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
SCHEMBL7796442 1.00 NAMPT (0.48) NAMPTPOLBATMKEAP1NFE2L2
SCHEMBL7300987 0.86 ATM (0.56) ATMCTSSCTSLCTSKELANE
SCHEMBL1152786 0.86 ATM (0.56) ATMCTSSCTSLCTSKELANE
SCHEMBL7789499 0.84 CYP3A4 (0.54) NAMPTATMCTSLCTSB
SCHEMBL7796461 0.84 CYP3A4 (0.54) NAMPTATMCTSLCTSB
SCHEMBL1335603 0.82 POLB (0.53) NAMPTPOLBATMKEAP1NFE2L2
SCHEMBL27482349 0.81 CTSK (0.47) NAMPTPOLBATMCTSSCTSL
SCHEMBL6448729 0.79 CTSB (0.47) NAMPTPOLBATMCTSSCTSL
SCHEMBL6448736 0.79 CTSB (0.47) NAMPTPOLBATMCTSSCTSL
SCHEMBL12126862 0.79 POLB (0.47) NAMPTPOLBATMKEAP1NFE2L2

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