SCHEMBL16956038

SCHEMBL16956038

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.40
▸ CNR2 P34972 6/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLCO1B3 Q9NPD5 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ NR5A1 Q13285 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL16954681 0.94 CNR1 (0.40) CNR1CNR2MEN1USP2ALDH1A1
SCHEMBL16958216 0.90 RAB9A (0.38) CNR1CNR2LMNACYP3A4MAPK1
SCHEMBL16958654 0.89 LTA4H (0.42) ALDH1A1LMNACYP3A4SMN1; SMN2LTA4H
SCHEMBL16951084 0.85 PTGS2 (0.53) CNR1CNR2MAPK1RAB9APTGS2
SCHEMBL16959780 0.85 CNR1 (0.34) CNR1CNR2MAPK1RAB9APTGS2
SCHEMBL16952176 0.83 ACACB (0.38) SMN1; SMN2LTA4HNR5A1GAARAB9A
SCHEMBL16950379 0.82 HPGD (0.45) CNR2ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL16953265 0.81 NQO1 (0.45) ALDH1A1LMNACYP3A4MAPK1SMN1; SMN2
SCHEMBL16958829 0.80 PTGS2 (0.35) CNR1CNR2CYP3A4MAPK1RAB9A
SCHEMBL16956266 0.80 PTGS2 (0.35) CNR1CNR2CYP3A4MAPK1RAB9A

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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