SCHEMBL7800098

SCHEMBL7800098

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)OCc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.40
ITGAV P06756 11/20 0.40
ITGA2B P08514 8/20 0.39
TGM2 P21980 1/20 0.39
TYR P14679 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL8182503 0.89 TGM2 (0.47) ITGB3ITGAVITGA2BTGM2ALDH1A1
SCHEMBL7796404 0.89 TGM2 (0.47) ITGB3ITGAVITGA2BTGM2ALDH1A1
SCHEMBL7796555 0.85 TGM2 (0.41) ITGB3ITGAVITGA2BTGM2ALDH1A1
SCHEMBL7797828 0.85 POLB (0.44) ITGB3ITGAVITGA2BTGM2ALDH1A1
SCHEMBL7797932 0.84 MMP8 (0.39) ITGB3ITGAVITGA2BTGM2
SCHEMBL7800262 0.84 CTSL (0.46) ITGB3ITGAVITGA2BTGM2ALDH1A1
SCHEMBL7789622 0.83 CYP3A4 (0.50) ITGB3ITGAVITGA2BTGM2ALDH1A1
SCHEMBL8178968 0.83 NPC1 (0.38) ITGB3ITGAVTGM2ALDH1A1MAPT
SCHEMBL7797836 0.83 NPC1 (0.38) ITGB3ITGAVTGM2ALDH1A1MAPT
SCHEMBL7800176 0.82 TGM2 (0.37) ITGB3ITGAVITGA2BTGM2

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