SCHEMBL16962400

SCHEMBL16962400

[CH2]c1cc(CCC)cc(CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ PTGS2 P35354 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ GPR84 Q9NQS5 2/20 0.34
▸ THRB P10828 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL16951757 0.93 CNR1 (0.34) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL16951356 0.91 HPGD (0.47) CNR2PTGS2CYP3A4GPR84THRB
SCHEMBL16955733 0.85 FFAR4 (0.39) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL7700304 0.85 CNR1 (0.46) CNR1CNR2PTGS2CYP3A4LPL
SCHEMBL16955099 0.85 OPRM1 (0.33) CNR1CNR2OPRM1
SCHEMBL1189657 0.84 HPGD (0.50) CNR2PTGS2CYP3A4GPR84THRB
SCHEMBL16955115 0.84 POLB (0.33) CNR1CNR2
SCHEMBL16956216 0.84 CNR1 (0.32) CNR1CNR2
SCHEMBL16958901 0.84 CNR1 (0.32) CNR1CNR2TRPV1
SCHEMBL16956777 0.84 CNR2 (0.34) CNR1CNR2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 — — CN disclosed
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