SCHEMBL16954800

SCHEMBL16954800

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.47
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ GCK P35557 1/20 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

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
SCHEMBL16955794 0.84 PLA2G2A (0.54) PLA2G2ALTA4HNR5A1GAARAB9A
SCHEMBL16960075 0.84 PLA2G2A (0.42) PLA2G2ACNR1CNR2KDM4ENSD2
SCHEMBL16959274 0.83 PLA2G2A (0.53) PLA2G2AKDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL1796234 0.82 PLA2G2A (0.50) PLA2G2ACNR1CNR2KDM4ENSD2
SCHEMBL16951222 0.81 AHR (0.53) PLA2G2ACNR1CNR2LTA4HNR5A1
SCHEMBL16951115 0.81 CNR1 (0.43) PLA2G2ACNR1CNR2KDM4ENSD2
SCHEMBL16953910 0.81 CNR1 (0.48) PLA2G2ACNR1CNR2KDM4ENSD2
SCHEMBL16952971 0.81 PLA2G2A (0.44) PLA2G2AKDM4EALDH1A1PTGESALOX5
SCHEMBL16951112 0.80 CNR1 (0.42) PLA2G2ACNR1CNR2KDM4ENSD2
SCHEMBL16950335 0.80 GCK (0.50) ALDH1A1GCK

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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