SCHEMBL7797828

SCHEMBL7797828

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)OCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TGM2 P21980 1/20 0.44
ITGB3 P05106 9/20 0.43
ITGAV P06756 8/20 0.43
CTRB1 P17538 2/20 0.42
ITGA2B P08514 6/20 0.42
CTSL P07711 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.40
TACR1 P25103 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
SCHEMBL8182503 0.95 TGM2 (0.47) TGM2ITGB3ITGAVCTRB1ITGA2B
SCHEMBL7796404 0.95 TGM2 (0.47) TGM2ITGB3ITGAVCTRB1ITGA2B
SCHEMBL7789622 0.90 CYP3A4 (0.50) TGM2ITGB3ITGAVITGA2BCTSL
SCHEMBL7800262 0.89 CTSL (0.46) TGM2ITGB3ITGAVCTRB1ITGA2B
SCHEMBL7796565 0.88 ATM (0.48) POLBTGM2ITGB3ITGAVITGA2B
SCHEMBL7796555 0.87 TGM2 (0.41) TGM2ITGB3ITGAVCTRB1ITGA2B
SCHEMBL7800198 0.86 PSMB5 (0.40) TGM2ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7797932 0.86 MMP8 (0.39) TGM2ITGB3ITGAVITGA2BATM
SCHEMBL7800098 0.85 ITGB3 (0.40) TGM2ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7797836 0.84 NPC1 (0.38) POLBTGM2ITGB3ITGAVALDH1A1

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