SCHEMBL16959942

SCHEMBL16959942

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ GPR84 Q9NQS5 2/20 0.32
▸ PTGS2 P35354 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ GPR6 P46095 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ TRPV3 Q8NET8 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
SCHEMBL16953461 0.94 CNR1 (0.32) CNR1CNR2
SCHEMBL16961458 0.93 NPC1 (0.42) CNR1CNR2GPR84PTGS2CYP3A4
SCHEMBL16960453 0.89 FFAR4 (0.33) CNR1CNR2TRPA1CYP1A1CYP2D6
SCHEMBL16958376 0.89 HPGD (0.44) CNR1CNR2GPR84PTGS2CYP3A4
SCHEMBL16960769 0.88 CNR1 (0.31) CNR1CNR2TRPA1CYP1A1CYP2D6
SCHEMBL16955950 0.88 POLB (0.31) CNR1CNR2
SCHEMBL16957683 0.88 KMT2A (0.31) CNR1CNR2
SCHEMBL16960689 0.85 PTGS2 (0.43) CNR1CNR2PTGS2
SCHEMBL16952015 0.84 NPC1 (0.41) CNR1CNR2GPR84PTGS2CYP3A4
SCHEMBL16960568 0.84 S1PR1 (0.30) —

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 1 patent. 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
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