SCHEMBL20005235

SCHEMBL20005235

CCCCOc1cc(C)c(C#Cc2ccc3cc(-c4ccc(CCc5ccc(-c6ccc(C)cc6)cc5)cc4)ccc3c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
FFAR1 O14842 6/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ACACB O00763 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
FAAH O00519 1/20 0.32
RARG P13631 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL20004816 1.00 S1PR1 (0.36) S1PR1RARBRARAFFAR1FFAR4
SCHEMBL20004874 0.83 RARB (0.36) S1PR1RARBRARAACACBHRH3
SCHEMBL20005189 0.81 AHR (0.37) ACACBLMNATSHR
SCHEMBL20005267 0.81 RARA (0.39) RARBRARAFFAR1FFAR4ACACB
SCHEMBL20004894 0.81 RARA (0.39) RARBRARAFFAR1FFAR4ACACB
SCHEMBL19999499 0.80 RARB (0.39) S1PR1RARBRARAFFAR1ACACB
SCHEMBL19999444 0.80 HRH3 (0.37) RARBRARAFFAR1FFAR4HRH3
SCHEMBL19999532 0.80 HRH3 (0.37) RARBRARAFFAR1FFAR4HRH3
SCHEMBL19999637 0.80 RARB (0.39) S1PR1RARBRARAFFAR1ACACB
SCHEMBL19999502 0.79 RARB (0.37) RARBRARAFFAR1ACACBHRH3

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-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed