SCHEMBL7796458

SCHEMBL7796458

O=CNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SORT1 Q99523 1/20 0.37
CAPN1 P07384 1/20 0.31
SLC6A4 P31645 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8181528 1.00 EPHX1 (0.43) EPHX1MEN1KMT2ATAAR1SORT1
SCHEMBL8178973 1.00 EPHX1 (0.43) EPHX1MEN1KMT2ATAAR1SORT1
SCHEMBL7799021 0.84 SORT1 (0.40) TAAR1SORT1SLC6A4NPC1RAB9A
SCHEMBL7796593 0.83 SORT1 (0.36) TAAR1SORT1RAB9A
SCHEMBL7797844 0.82 SIGMAR1 (0.39) TAAR1SORT1RAB9A
SCHEMBL7796591 0.81 SIGMAR1 (0.36) TAAR1SORT1SLC6A4AADATNPC1
SCHEMBL7799070 0.81 SIGMAR1 (0.41) TAAR1SORT1
SCHEMBL7789521 0.81 CTRB1 (0.42) MEN1KMT2ASORT1NPC1RAB9A
SCHEMBL8178600 0.81 CTRB1 (0.42) MEN1KMT2ASORT1NPC1RAB9A
SCHEMBL7799091 0.81 NPC1 (0.40) KMT2ASORT1NPC1RAB9A

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 8 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 claimed
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 claimed
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