SCHEMBL16958216

SCHEMBL16958216

C=[C]c1cc(CCCC)cc(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CNR1 P21554 9/20 0.38
▸ CNR2 P34972 7/20 0.38
▸ PTGS2 P35354 3/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FUT7 Q11130 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 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
SCHEMBL16956038 0.90 CNR1 (0.40) RAB9ACNR1CNR2PTGS2MAPK1
SCHEMBL16958096 0.90 NQO1 (0.39) RAB9AMAPTL3MBTL1CNR1CNR2
SCHEMBL16951084 0.85 PTGS2 (0.53) RAB9ACNR1CNR2PTGS2CA1
SCHEMBL16959780 0.85 CNR1 (0.34) RAB9ACNR1CNR2PTGS2CA1
SCHEMBL16954681 0.84 CNR1 (0.40) RAB9ACNR1CNR2MAPK1CYP3A4
SCHEMBL16957167 0.83 NQO1 (0.41) MAPTNQO1HPGDCYP3A4
SCHEMBL16950379 0.82 HPGD (0.45) RAB9ACNR2PTGS2CA1CA2
SCHEMBL16953265 0.81 NQO1 (0.45) L3MBTL1CA1CA2CA9NQO1
SCHEMBL16955449 0.80 NQO1 (0.50) MAPTCA1CA2CA9NQO1
SCHEMBL16958829 0.80 PTGS2 (0.35) RAB9ACNR1CNR2PTGS2CA1

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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