SCHEMBL20202946

SCHEMBL20202946

CCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
GRM2 Q14416 1/20 0.36
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
FFAR4 Q5NUL3 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
METAP2 P50579 1/20 0.31
HMOX1 P09601 2/20 0.31
FFAR1 O14842 1/20 0.31
CYP2C9 P11712 1/20 0.31
CACNA1C Q13936 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL20202931 0.94 ALOX5AP (0.38) ALOX5APFEN1GRM2AKR1C3AKR1C2
SCHEMBL20202933 0.92 ALOX5AP (0.36) ALOX5APFEN1GRM2AKR1C3AKR1C2
SCHEMBL20202932 0.91 RARB (0.37) ALOX5APFEN1GRM2AKR1C3AKR1C2
SCHEMBL20202966 0.89 ALOX5AP (0.34) ALOX5APFEN1GRM2
SCHEMBL20936231 0.89 ALOX5AP (0.40) ALOX5APFEN1GRM2AKR1C3AKR1C2
SCHEMBL20202928 0.89 GSK3B (0.33) ESR1ESR2
SCHEMBL17075778 0.88 ALOX5AP (0.34) ALOX5APFEN1GRM2AKR1C3AKR1C2
SCHEMBL20202968 0.87 ALOX5AP (0.35) ALOX5APFEN1GRM2AKR1C3AKR1C2
SCHEMBL20202949 0.84 GRM2 (0.33) ALOX5APFEN1GRM2
SCHEMBL20202967 0.83 PPM1A (0.30) GRM2

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-20180148647-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY USING SAME DIC CORPORATION (JP) 2018-05-31 US disclosed