SCHEMBL7796565

SCHEMBL7796565

COc1ccc(COC(=O)NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSAB1 Q15661 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TGM2 P21980 1/20 0.44
F2 P00734 1/20 0.42
CYP3A4 P08684 6/20 0.42
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 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 0.92 TGM2 (0.47) ATMTGM2CYP3A4TSHRALDH1A1
SCHEMBL7796404 0.92 TGM2 (0.47) ATMTGM2CYP3A4TSHRALDH1A1
SCHEMBL7800262 0.91 CTSL (0.46) ATMCTSLCTSKTGM2CYP3A4
SCHEMBL7800188 0.90 GAA (0.42) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL7797828 0.88 POLB (0.44) ATMCTSLTGM2ALDH1A1CYP1A2
SCHEMBL8178968 0.86 NPC1 (0.38) ATMTGM2CYP3A4TSHRALDH1A1
SCHEMBL7797836 0.86 NPC1 (0.38) ATMTGM2CYP3A4TSHRALDH1A1
SCHEMBL7800273 0.86 SMN1; SMN2 (0.46) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL7797932 0.85 MMP8 (0.39) ATMTGM2F2CYP3A4TSHR
SCHEMBL7796568 0.85 FPR2 (0.55) ALDH1A1MEN1KMT2AMAPTCYP2C19

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