SCHEMBL16960075

SCHEMBL16960075

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.42
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ GCK P35557 1/20 0.35
▸ AHR P35869 1/20 0.35

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
SCHEMBL16960574 0.85 PLA2G2A (0.46) PLA2G2AKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16956747 0.84 AHR (0.50) PLA2G2ACNR1CNR2SMN1; SMN2PPARG
SCHEMBL16954800 0.84 PLA2G2A (0.47) PLA2G2ACNR1CNR2KDM4EALDH1A1
SCHEMBL16959385 0.83 PLA2G2A (0.39) PLA2G2AKDM4EALDH1A1PTGESALOX5
SCHEMBL16953056 0.82 PLA2G2A (0.43) PLA2G2AKDM4EALDH1A1AHR
SCHEMBL16951121 0.81 PLA2G2A (0.42) PLA2G2A
SCHEMBL16952189 0.81 PLA2G2A (0.42) PLA2G2A
SCHEMBL16958217 0.81 PLA2G2A (0.38) PLA2G2ACNR1CNR2KDM4ESMN1; SMN2
SCHEMBL16953340 0.80 PLA2G2A (0.41) PLA2G2AKMT2ASMN1; SMN2
SCHEMBL16954357 0.80 PLA2G2A (0.41) PLA2G2AKMT2A

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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