SCHEMBL20006853

SCHEMBL20006853

CCCc1ccc(-c2cc(C)c(C#Cc3ccc(-c4ccc(C)cc4)cc3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.40
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
ACACB O00763 3/20 0.34
RARB P10826 3/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25548582 0.93 FFAR1 (0.42) FFAR1HSD17B10TSHRACACBRARB
SCHEMBL20004483 0.93 TSHR (0.44) FFAR1HSD17B10TSHRRARBRARA
SCHEMBL19999463 0.91 TSHR (0.49) FFAR1HSD17B10TSHRRARBRARA
SCHEMBL19999351 0.91 TSHR (0.45) FFAR1HSD17B10TSHRACACBRARB
SCHEMBL19999557 0.90 ACACB (0.42) HSD17B10TSHRACACBRARBRARA
SCHEMBL19999453 0.90 HSD17B10 (0.50) FFAR1HSD17B10TSHRRARBRARA
SCHEMBL19999353 0.88 ACACB (0.48) ACACBRARBRARAALDH1A1MAPT
SCHEMBL20005221 0.88 GRM5 (0.37) FFAR1CYP1A2CYP2A6MEN1ALDH1A1
SCHEMBL20004637 0.88 GRM5 (0.37) FFAR1CYP1A2CYP2A6MEN1ALDH1A1
SCHEMBL20006875 0.88 RARB (0.36) FFAR1HSD17B10TSHRRARBRARA

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