SCHEMBL7797839

SCHEMBL7797839

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.37
BRD4 O60885 1/20 0.36
MMP9 P14780 1/20 0.36
MLYCD O95822 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
FOLH1 Q04609 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7799091 0.91 NPC1 (0.40) NPC1RAB9ALMNAMMP9MLYCD
SCHEMBL7789519 0.89 NPC1 (0.41) NPC1RAB9ALMNAMMP9
SCHEMBL7789521 0.88 CTRB1 (0.42) NPC1RAB9ALMNAMLYCDTDP1
SCHEMBL8178600 0.88 CTRB1 (0.42) NPC1RAB9ALMNAMLYCDTDP1
SCHEMBL7799010 0.88 POLB (0.37) NPC1RAB9ALMNAMLYCD
SCHEMBL7797836 0.86 NPC1 (0.38) NPC1RAB9ALMNAMLYCDTDP1
SCHEMBL8178968 0.86 NPC1 (0.38) NPC1RAB9ALMNAMLYCDTDP1
SCHEMBL7789535 0.86 NPC1 (0.38) NPC1RAB9ALMNAMLYCDTDP1
SCHEMBL7797833 0.86 ANPEP (0.45) LMNA
SCHEMBL8175076 0.86 FPR2 (0.41)

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