SCHEMBL318543

SCHEMBL318543

CC(C)(C)N(Cc1ccc(C2=NCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2Cl)cc1Br)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL318605 0.82
SCHEMBL794182 0.72 TACR1 (0.31)
SCHEMBL326854 0.71 RXRA (0.38) RXRARXRBRXRG
SCHEMBL20559571 0.65 PYCR1 (0.47)
SCHEMBL794384 0.64 TACR1 (0.33)
SCHEMBL12187298 0.62
SCHEMBL1818639 0.61 PTGDR2 (0.39)
SCHEMBL318277 0.60 BDKRB1 (0.30)
SCHEMBL14333005 0.60 KCNA5 (0.40)
SCHEMBL5650158 0.60 CYP3A4 (0.42) RXRARXRBRXRG

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-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed