SCHEMBL7796446

SCHEMBL7796446

CCCNC(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
EPHX2 P34913 6/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
CCR3 P51677 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL7799010 0.91 POLB (0.37) POLBL3MBTL1LMNAITGB3ITGAV
SCHEMBL7797833 0.88 ANPEP (0.45) L3MBTL1LMNAITGB3
SCHEMBL7799091 0.88 NPC1 (0.40) L3MBTL1LMNAITGB3KMT2ANPC1
SCHEMBL7789535 0.86 NPC1 (0.38) LMNAITGB3KMT2ANPC1RAB9A
SCHEMBL7797839 0.86 NPC1 (0.44) LMNANPC1RAB9A
SCHEMBL7789521 0.85 CTRB1 (0.42) POLBL3MBTL1LMNAKMT2AMEN1
SCHEMBL8178600 0.85 CTRB1 (0.42) POLBL3MBTL1LMNAKMT2AMEN1
SCHEMBL7800194 0.84 SIGMAR1 (0.43) POLBKMT2AMEN1BCHE
SCHEMBL7789519 0.84 NPC1 (0.41) L3MBTL1LMNAKMT2ANPC1RAB9A
SCHEMBL7797836 0.84 NPC1 (0.38) POLBL3MBTL1LMNAITGB3ITGAV

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