SCHEMBL16955115

SCHEMBL16955115

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ IDO1 P14902 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
SCHEMBL16955109 0.88 NPC1 (0.42) —
SCHEMBL18854254 0.84 POLB (0.38) POLBCTDSP1CNR1CNR2IDO1
SCHEMBL11819334 0.84 IDO1 (0.41) POLBCTDSP1CNR1CNR2IDO1
SCHEMBL16962400 0.84 CNR1 (0.38) CNR1CNR2
SCHEMBL16958713 0.82 PTGS2 (0.32) IDO1
SCHEMBL16951757 0.77 CNR1 (0.34) CNR1CNR2
SCHEMBL16955117 0.76 TACR1 (0.39) POLBCTDSP1CNR1CNR2IDO1
SCHEMBL16951356 0.76 HPGD (0.47) CNR2
SCHEMBL16955733 0.76 FFAR4 (0.39) CNR1CNR2
SCHEMBL28254121 0.75 IDO1 (0.33) IDO1

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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