SCHEMBL4284736

SCHEMBL4284736

OCc1c(C(F)(F)F)cnc(OCc2ccccc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
FEN1 P39748 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL4295097 0.88 RXRA (0.36) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL6741566 0.82 L3MBTL1 (0.43) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL4287345 0.79 RXRA (0.41) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL4288063 0.78 L3MBTL1 (0.40) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL29937450 0.74 AR (0.40) RXRARXRBRXRGMRGPRX4FEN1
SCHEMBL27347638 0.74 MEN1 (0.47) RXRARXRBRXRGMRGPRX4LMNA
SCHEMBL6740837 0.72 L3MBTL1 (0.42) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL6739678 0.72 MRGPRX4 (0.49) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL24968170 0.71 MAOB (0.43) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL18338730 0.71 PIN1 (0.56) RXRARXRBRXRGMRGPRX4L3MBTL1

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