SCHEMBL7797923

SCHEMBL7797923

CC(C)COC(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TGM2 P21980 1/20 0.37
ATM Q13315 1/20 0.37
CASP1 P29466 2/20 0.37
CASP3 P42574 2/20 0.37
CASP7 P55210 2/20 0.37
CASP6 P55212 2/20 0.37
CASP8 Q14790 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 1/20 0.37
ITGAV P06756 3/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 3/20 0.37
TSHR P16473 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL7797932 0.90 MMP8 (0.39) TGM2ATMITGB3ITGA2BITGAV
SCHEMBL8182503 0.89 TGM2 (0.47) TGM2ATMITGB3ITGA2BITGAV
SCHEMBL7796404 0.89 TGM2 (0.47) TGM2ATMITGB3ITGA2BITGAV
SCHEMBL8178968 0.88 NPC1 (0.38) TGM2ATMNPC1RAB9AITGB3
SCHEMBL7797836 0.88 NPC1 (0.38) TGM2ATMNPC1RAB9AITGB3
SCHEMBL7800176 0.88 TGM2 (0.37) TGM2CASP1CASP3CASP7CASP6
SCHEMBL7797842 0.88 NPC1 (0.39) TGM2ATMNPC1RAB9AITGB3
SCHEMBL8175419 0.85 ATM (0.47) ATMRAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL7789557 0.85 ATM (0.47) ATMRAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL8181240 0.85 ATM (0.47) ATMRAB9ATSHRALDH1A1SMN1; SMN2

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