SCHEMBL7796593

SCHEMBL7796593

c1ccc(CC2=NOC(C(Cc3ccccc3)Nc3ccccc3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
SLC18A2 Q05940 1/20 0.32
CA1 P00915 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7799016 0.91 NPBWR1 (0.36) SORT1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7799004 0.88 FPR2 (0.41) CYP2D6CYP2C19ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7799021 0.88 SORT1 (0.40) SORT1TAAR1SIGMAR1SLC18A2ALDH1A1
SCHEMBL7797819 0.86 CA1 (0.41) CA1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7797844 0.85 SIGMAR1 (0.39) SORT1CYP3A4TAAR1SIGMAR1SLC18A2
SCHEMBL8175076 0.84 FPR2 (0.41)
SCHEMBL7796591 0.84 SIGMAR1 (0.36) SORT1TAAR1SIGMAR1SLC18A2ALDH1A1
SCHEMBL7799070 0.84 SIGMAR1 (0.41) SORT1TAAR1SIGMAR1SLC18A2
SCHEMBL7796458 0.83 EPHX1 (0.43) SORT1TAAR1RAB9A
SCHEMBL8181528 0.83 EPHX1 (0.43) SORT1TAAR1RAB9A

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