SCHEMBL16953910

SCHEMBL16953910

CCCCOc1cc(CO)cc(OC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.48
▸ CNR2 P34972 5/20 0.48
▸ PTGES O14684 2/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ 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
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ LTA4H P09960 1/20 0.38

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
SCHEMBL13016545 0.88 PLA2G2A (0.49) CNR1CNR2PLA2G2AKDM4EALDH1A1
SCHEMBL16959790 0.84 PLA2G2A (0.46) CNR1CNR2PLA2G2AKDM4EALDH1A1
SCHEMBL2771611 0.84 LTA4H (0.46) CNR1CNR2PLA2G2AKDM4EALDH1A1
SCHEMBL16957717 0.83 PLA2G2A (0.45) CNR1CNR2PLA2G2AKDM4EALDH1A1
SCHEMBL16951115 0.81 CNR1 (0.43) CNR1CNR2PTGESALOX5PPARG
SCHEMBL5095901 0.81 PLA2G2A (0.59) CNR1CNR2PLA2G2A
SCHEMBL31406483 0.81 PLA2G2A (0.59) CNR1CNR2PLA2G2A
SCHEMBL20958133 0.81 PLA2G2A (0.59) CNR1CNR2PLA2G2A
SCHEMBL31406485 0.81 PLA2G2A (0.59) CNR1CNR2PLA2G2A
SCHEMBL5086816 0.81 PLA2G2A (0.59) CNR1CNR2PLA2G2A

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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