SCHEMBL16956273

SCHEMBL16956273

CCCCOc1cc([C](C)C)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.44
▸ CNR1 P21554 4/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ NR5A1 Q13285 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ STK25 O00506 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.36

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
SCHEMBL16953371 0.86 PLA2G2A (0.43) PLA2G2A
SCHEMBL16959409 0.85 EPHX2 (0.39) SMN1; SMN2
SCHEMBL16951560 0.84 PLA2G2A (0.39) PLA2G2ACNR1CNR2LTA4HGAA
SCHEMBL29173965 0.82 PLA2G2A (0.47) PLA2G2ATP53TSHRMAPTSMN1; SMN2
SCHEMBL16955794 0.81 PLA2G2A (0.54) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16959274 0.80 PLA2G2A (0.53) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16955492 0.78 PLA2G2A (0.47) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16953583 0.78 PLA2G2A (0.47) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16951222 0.78 AHR (0.53) PLA2G2ACNR1CNR2LTA4HNR5A1
SCHEMBL16959744 0.77 POLB (0.35) MAPT

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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