SCHEMBL7799010

SCHEMBL7799010

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
ANPEP P15144 1/20 0.34
MLYCD O95822 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
SCHEMBL7796446 0.91 POLB (0.48) POLBNPC1RAB9ALMNAKMT2A
SCHEMBL7797833 0.90 ANPEP (0.45) LMNAATMALDH1A1L3MBTL1ITGB3
SCHEMBL7799091 0.90 NPC1 (0.40) NPC1RAB9ALMNAKMT2AL3MBTL1
SCHEMBL7789535 0.88 NPC1 (0.38) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL7797839 0.88 NPC1 (0.44) NPC1RAB9ALMNAMLYCD
SCHEMBL7789521 0.87 CTRB1 (0.42) POLBNPC1RAB9ALMNAKMT2A
SCHEMBL8178600 0.87 CTRB1 (0.42) POLBNPC1RAB9ALMNAKMT2A
SCHEMBL7797836 0.85 NPC1 (0.38) POLBNPC1RAB9ALMNAATM
SCHEMBL7789519 0.85 NPC1 (0.41) NPC1RAB9ALMNAKMT2AL3MBTL1
SCHEMBL8178968 0.85 NPC1 (0.38) POLBNPC1RAB9ALMNAATM

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