SCHEMBL21469977

SCHEMBL21469977

C=C(C)C(=O)Oc1ccccc1-c1ccc(-c2ccccc2OCC)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.50
PDE10A Q9Y233 6/20 0.45
DHODH Q02127 2/20 0.44
FEN1 P39748 7/20 0.43
ALOX5AP P20292 5/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NR3C1 P04150 1/20 0.40
ABL1 P00519 2/20 0.39

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
SCHEMBL20275913 0.92 FEN1 (0.41) PTPRCFEN1ALOX5AP
SCHEMBL20312077 0.84 FEN1 (0.39) PTPRCPDE10AFEN1ALOX5APPTGS1
SCHEMBL20275944 0.82 ELANE (0.47) DHODHFEN1ALOX5AP
SCHEMBL21400898 0.79 FFAR4 (0.39) PTPRC
SCHEMBL21400899 0.78 KDM4E (0.42) PTGS1PTGS2
SCHEMBL15338967 0.78 ELANE (0.40) DHODHFEN1PTGS2
SCHEMBL20312063 0.77 ELANE (0.40) DHODHFEN1ALOX5AP
SCHEMBL22842419 0.77 DHODH (0.41) DHODH
SCHEMBL17546931 0.76 FEN1 (0.36) FEN1ALOX5AP
SCHEMBL23052927 0.76 MAPT (0.40)

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-3339396-B1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION INCLUDED THEREIN SAMSUNG DISPLAY CO LTD (KR) 2019-10-16 EP disclosed