SCHEMBL8346502

SCHEMBL8346502

[O-][N+]1=NC(Oc2ccccc2C(F)(F)F)(c2ccccc2)N=C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PPARG P37231 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
DRD2 P14416 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL1685381 0.59 LTA4H (0.46) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL667777 0.58 PPARG (0.51) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL9242571 0.58 HSD11B1 (0.53) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL11048002 0.58 LTA4H (0.45) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL1676646 0.57 LTA4H (0.53) RXRARXRBRXRGPPARG
SCHEMBL11317090 0.57 HDAC4 (0.42) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL1053934 0.57 PPARG (0.41) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL30080100 0.57 IDO1 (0.50) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL1070283 0.57 PPARG (0.41) RXRARXRBRXRGPPARGMRGPRX4
SCHEMBL30093322 0.57 CA1 (0.55)

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-1999011129-A1 ENANTIOMERICALLY ENRICHED COMPOSITIONS AND THEIR PESTICIDAL USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-11 WO disclosed