SCHEMBL20006750

SCHEMBL20006750

CCCCc1ccc(CCc2ccc(-c3cc(C)c(C#Cc4ccc(-c5ccc(C)cc5F)cc4)cc3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.42
FFAR1 O14842 9/20 0.41
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MPL P40238 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL19999625 0.93 FFAR1 (0.43) RARBFFAR1S1PR1
SCHEMBL19999596 0.91 RARB (0.47) RARBFFAR1TSHRHSD17B10MPL
SCHEMBL19999494 0.91 RARB (0.40) RARBFFAR1TSHRHSD17B10MPL
SCHEMBL20005228 0.88 FFAR1 (0.43) RARBFFAR1S1PR1
SCHEMBL20005225 0.87 FFAR1 (0.46) FFAR1S1PR1
SCHEMBL20005285 0.87 FFAR1 (0.40) RARBFFAR1NPC1TP53POLB
SCHEMBL19999467 0.87 TSHR (0.44) RARBFFAR1TSHRHSD17B10RARA
SCHEMBL19999415 0.86 RARB (0.46) RARBFFAR1TSHRHSD17B10RARA
SCHEMBL20006883 0.86 FFAR1 (0.42) RARBFFAR1TSHRHSD17B10S1PR1
SCHEMBL20004870 0.86 FFAR1 (0.45) FFAR1S1PR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed