SCHEMBL20118271

SCHEMBL20118271

CCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
KIF11 P52732 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
PTGS2 P35354 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 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
SCHEMBL16258060 0.93 GRM2 (0.37) GRM2KIF11ALOX5APFEN1PTGS2
SCHEMBL19844706 0.92 GRM2 (0.36) GRM2KIF11ALOX5APFEN1AKR1C3
SCHEMBL12625440 0.92 ALOX5AP (0.37) GRM2KIF11ALOX5APFEN1AKR1C3
SCHEMBL2395062 0.91 S1PR1 (0.35) GRM2KIF11ALOX5APFEN1AKR1C3
SCHEMBL20118273 0.90 GRM2 (0.39) GRM2KIF11ALOX5APFEN1
SCHEMBL16258063 0.89 GRM2 (0.41) GRM2KIF11ALOX5APFEN1PTGS2
SCHEMBL12624691 0.89 GRM2 (0.41) GRM2KIF11ALOX5APFEN1PTGS2
SCHEMBL12226092 0.89 GRM2 (0.40) GRM2ALOX5APFEN1AKR1C3AKR1C2
SCHEMBL19850723 0.89 GRM2 (0.42) GRM2KIF11ALOX5APFEN1
SCHEMBL14884745 0.89 RARB (0.41) GRM2KIF11AKR1C2S1PR1S1PR3

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-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed