SCHEMBL4287345

SCHEMBL4287345

OCc1c(C(F)(F)F)ccnc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PPIA P62937 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 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
SCHEMBL4295539 0.86 RXRA (0.38) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL4284736 0.79 RXRA (0.40) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL25649981 0.77 SLC22A12 (0.37) TSHRMAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL4283825 0.76 L3MBTL1 (0.47) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL3779104 0.75 KDM4E (0.45) TSHRALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL27347638 0.75 MEN1 (0.47) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL23834854 0.71 RXRA (0.47) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL29921162 0.71 RXRA (0.47) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL15830708 0.71 LMNA (0.36) LMNATSHRALDH1A1HPGDMAPK1
SCHEMBL4282756 0.71 HTR6 (0.32) AR

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
WO-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed