SCHEMBL7982209

SCHEMBL7982209

C/C(=C\c1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
RORC P51449 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
SCHEMBL7982212 1.00 RXRA (0.32) RXRARXRBRXRGMAPTMAPK1
SCHEMBL7960682 0.90 MAPT (0.32) MAPTMAPK1MEN1CYP1A2CYP2C9
SCHEMBL7595992 0.90 MAPT (0.32) MAPTMAPK1MEN1CYP1A2CYP2C9
SCHEMBL7591610 0.87 MEN1 (0.32) MAPTMAPK1MEN1CYP1A2CYP2C9
SCHEMBL7960676 0.87 MEN1 (0.32) MAPTMAPK1MEN1CYP1A2CYP2C9
SCHEMBL7982591 0.83 IDH1 (0.35) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL7982593 0.83 IDH1 (0.35) MAPTMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL7591106 0.83 MEN1 (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL30130330 0.83 MEN1 (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7159842 0.82 NOTUM (0.31) MEN1CYP1A2CYP2C9CYP2C19KMT2A

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
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed