SCHEMBL20006139

SCHEMBL20006139

CCCCc1ccc(-c2ccc(CCCC)c(F)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPL P40238 7/20 0.45
RARB P10826 4/20 0.45
HSD11B1 P28845 2/20 0.43
CHKA P35790 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TYR P14679 1/20 0.39
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL9497760 0.95 RARB (0.48) MPLRARBHSD11B1ALDH1A1HSD17B10
SCHEMBL9509775 0.95 RARB (0.48) MPLRARBHSD11B1ALDH1A1HSD17B10
SCHEMBL9563854 0.95 RARB (0.50) MPLRARBHSD11B1ALDH1A1HSD17B10
SCHEMBL20346176 0.95 MPL (0.44) MPLRARBHSD11B1CHKACA1
SCHEMBL9494649 0.94 RARB (0.50) MPLRARBALDH1A1HPGDHSD17B10
SCHEMBL9493114 0.94 RARB (0.50) MPLRARBALDH1A1HPGDHSD17B10
SCHEMBL9487153 0.94 MPL (0.41) MPLRARBHSD11B1CHKATYR
SCHEMBL22131040 0.94 MPL (0.41) MPLRARBHSD11B1CHKAHSD17B10
SCHEMBL9494664 0.94 RARB (0.49) MPLRARBHSD11B1ALDH1A1HSD17B10
SCHEMBL9495393 0.94 RARB (0.44) MPLRARBHSD11B1CHKAALDH1A1

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-2884334-B1 LIQUID CRYSTAL DISPLAY ELEMENT DAINIPPON INK & CHEMICALS (JP) 2018-03-28 EP disclosed