SCHEMBL7800262

SCHEMBL7800262

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSK P43235 1/20 0.46
TGM2 P21980 1/20 0.45
ITGB3 P05106 4/20 0.42
ITGAV P06756 4/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 6/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTRB1 P17538 2/20 0.42
P2RX7 Q99572 2/20 0.41
TSHR P16473 4/20 0.41
MAPK1 P28482 1/20 0.41
ITGA2B P08514 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL8182503 0.94 TGM2 (0.47) TGM2ITGB3ITGAVATMCYP3A4
SCHEMBL7796404 0.94 TGM2 (0.47) TGM2ITGB3ITGAVATMCYP3A4
SCHEMBL7796565 0.91 ATM (0.48) CTSLCTSKTGM2ITGB3ITGAV
SCHEMBL7797828 0.89 POLB (0.44) CTSLTGM2ITGB3ITGAVATM
SCHEMBL7797932 0.89 MMP8 (0.39) TGM2ITGB3ITGAVATMCYP3A4
SCHEMBL7796487 0.87 PPARG (0.37) ATMCYP3A4TSHRALDH1A1CYP1A2
SCHEMBL7796555 0.86 TGM2 (0.41) TGM2ITGB3ITGAVCYP3A4LMNA
SCHEMBL7789622 0.86 CYP3A4 (0.50) CTSLCTSKTGM2ITGB3ITGAV
SCHEMBL8178968 0.86 NPC1 (0.38) TGM2ITGB3ITGAVATMCYP3A4
SCHEMBL7797836 0.86 NPC1 (0.38) TGM2ITGB3ITGAVATMCYP3A4

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