SCHEMBL7797842

SCHEMBL7797842

CC(C)OC(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.36
CTSK P43235 4/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSH P09668 2/20 0.36
TSHR P16473 2/20 0.36
ITGB3 P05106 4/20 0.35
ITGA2B P08514 3/20 0.35
LMNA P02545 2/20 0.35
MLYCD O95822 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TGM2 P21980 1/20 0.35
ITGAV P06756 3/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL7796622 0.91 CTSK (0.41) NPC1RAB9ACTSKCTSLCTSB
SCHEMBL7797836 0.90 NPC1 (0.38) NPC1RAB9ATSHRITGB3LMNA
SCHEMBL8178968 0.90 NPC1 (0.38) NPC1RAB9ATSHRITGB3LMNA
SCHEMBL7797923 0.88 KDM4E (0.43) NPC1RAB9ACTSKCTSLTSHR
SCHEMBL7797932 0.87 MMP8 (0.39) TSHRITGB3ITGA2BLMNAMLYCD
SCHEMBL8175419 0.87 ATM (0.47) RAB9AHTTCTSKCTSLCTSB
SCHEMBL8181240 0.87 ATM (0.47) RAB9AHTTCTSKCTSLCTSB
SCHEMBL7789557 0.87 ATM (0.47) RAB9AHTTCTSKCTSLCTSB
SCHEMBL8182503 0.86 TGM2 (0.47) TSHRITGB3ITGA2BLMNATGM2
SCHEMBL7796404 0.86 TGM2 (0.47) TSHRITGB3ITGA2BLMNATGM2

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