SCHEMBL7796622

SCHEMBL7796622

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.41
CTSL P07711 4/20 0.41
CTSB P07858 4/20 0.41
CTSH P09668 3/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MLYCD O95822 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL7797842 0.91 NPC1 (0.39) CTSKCTSLCTSBCTSHNPC1
SCHEMBL7797836 0.87 NPC1 (0.38) NPC1RAB9AMLYCDKMT2ALMNA
SCHEMBL8178968 0.87 NPC1 (0.38) NPC1RAB9AMLYCDKMT2ALMNA
SCHEMBL7797932 0.87 MMP8 (0.39) MLYCDLMNATGM2
SCHEMBL7799091 0.85 NPC1 (0.40) NPC1RAB9AMLYCDKMT2ALMNA
SCHEMBL7800176 0.85 TGM2 (0.37) CTSKCTSLCTSBMLYCDLMNA
SCHEMBL7797923 0.85 KDM4E (0.43) CTSKCTSLNPC1RAB9AMLYCD
SCHEMBL7789557 0.85 ATM (0.47) CTSKCTSLCTSBRAB9AMLYCD
SCHEMBL8175419 0.85 ATM (0.47) CTSKCTSLCTSBRAB9AMLYCD
SCHEMBL8181240 0.85 ATM (0.47) CTSKCTSLCTSBRAB9AMLYCD

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