SCHEMBL7789622

SCHEMBL7789622

O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)OCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
CTSB P07858 3/20 0.42
CTSL P07711 2/20 0.42
NAMPT P43490 1/20 0.42
TGM2 P21980 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ITGB3 P05106 4/20 0.40
ITGAV P06756 4/20 0.40
GPR132 Q9UNW8 1/20 0.40
ITGA2B P08514 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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 0.91 TGM2 (0.47) CYP3A4TGM2ITGB3ITGAVITGA2B
SCHEMBL7796404 0.91 TGM2 (0.47) CYP3A4TGM2ITGB3ITGAVITGA2B
SCHEMBL7797828 0.90 POLB (0.44) CTSLTGM2ITGB3ITGAVITGA2B
SCHEMBL7800198 0.88 PSMB5 (0.40) CYP3A4TGM2ITGB3ITGAVITGA2B
SCHEMBL7800262 0.86 CTSL (0.46) CYP3A4CTSLTGM2CTSKITGB3
SCHEMBL7796555 0.85 TGM2 (0.41) CYP3A4TGM2ITGB3ITGAVITGA2B
SCHEMBL8432613 0.85 RECQL (0.44) CYP3A4NAMPTALDH1A1LMNAHTT
SCHEMBL7797932 0.84 MMP8 (0.39) CYP3A4TGM2ITGB3ITGAVITGA2B
SCHEMBL7796565 0.84 ATM (0.48) CYP3A4CTSLTGM2CTSSCTSK
SCHEMBL7800108 0.84 CYP17A1 (0.39) CYP3A4LMNA

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