SCHEMBL7796404

SCHEMBL7796404

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.47
CTRB1 P17538 2/20 0.46
ITGB3 P05106 10/20 0.46
ITGAV P06756 9/20 0.46
ITGA2B P08514 7/20 0.45
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TACR1 P25103 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 1/20 0.42

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 1.00 TGM2 (0.47) TGM2CTRB1ITGB3ITGAVITGA2B
SCHEMBL7797828 0.95 POLB (0.44) TGM2CTRB1ITGB3ITGAVITGA2B
SCHEMBL7800262 0.94 CTSL (0.46) TGM2CTRB1ITGB3ITGAVITGA2B
SCHEMBL7796565 0.92 ATM (0.48) TGM2ITGB3ITGAVITGA2BCYP1A2
SCHEMBL7796555 0.91 TGM2 (0.41) TGM2CTRB1ITGB3ITGAVITGA2B
SCHEMBL7789622 0.91 CYP3A4 (0.50) TGM2ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7797932 0.90 MMP8 (0.39) TGM2ITGB3ITGAVITGA2BATM
SCHEMBL7800098 0.89 ITGB3 (0.40) TGM2ITGB3ITGAVITGA2BALDH1A1
SCHEMBL8178968 0.89 NPC1 (0.38) TGM2ITGB3ITGAVALDH1A1ATM
SCHEMBL7797836 0.89 NPC1 (0.38) TGM2ITGB3ITGAVALDH1A1ATM

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 7 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 claimed
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