SCHEMBL11205584

SCHEMBL11205584

COC(=O)CNCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
FFAR1 O14842 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45

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
SCHEMBL10692331 0.83 MRGPRX4 (0.56) MRGPRX4FFAR1
SCHEMBL10507759 0.82 MRGPRX4 (0.50) MRGPRX4PPARGPPARDPPARAFFAR1
SCHEMBL11204692 0.82 MRGPRX4 (0.49) MRGPRX4PPARGPPARDPPARAFFAR1
SCHEMBL10507578 0.79 FFAR1 (0.56) MRGPRX4PPARGPPARDPPARAFFAR1
SCHEMBL10507700 0.79 FFAR1 (0.62) MRGPRX4PPARGPPARDPPARAFFAR1
SCHEMBL10509965 0.78 FFAR1 (0.51) MRGPRX4PPARGPPARDPPARAFFAR1
SCHEMBL10688351 0.78 FFAR1 (0.54) MRGPRX4FFAR1MEN1KMT2A
SCHEMBL10510999 0.78 FFAR1 (0.48) MRGPRX4PPARGPPARDPPARAFFAR1
SCHEMBL10509502 0.78 MRGPRX4 (0.57) MRGPRX4PPARGPPARDPPARAFFAR1
SCHEMBL3523039 0.77 FFAR1 (0.77) MRGPRX4PPARGPPARDPPARAFFAR1

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-0077961-A2 Substituted 2-nitro-5-(4-trifluoromethyl-phenoxy) toluols, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 EP disclosed