SCHEMBL20006711

SCHEMBL20006711

CCCCc1ccc(-c2ccc(C#Cc3c(C)cc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
RARB P10826 4/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PSMB5 P28074 1/20 0.35
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MPL P40238 2/20 0.32
BCHE P06276 2/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL19999588 0.93 RARB (0.41) HRH3RARBPSMB5RARARARG
SCHEMBL20004900 0.93 HRH3 (0.36) HRH3RARBPSMB5RARARARG
SCHEMBL20006836 0.92 RARB (0.39) HRH3RARBRARARARGTSHR
SCHEMBL20006753 0.91 RARB (0.37) HRH3RARBRARARARGTSHR
SCHEMBL19999623 0.89 RARB (0.38) HRH3RARBAKR1C3AKR1C2RARA
SCHEMBL20006854 0.89 RARB (0.38) HRH3RARBRARARARGTSHR
SCHEMBL20004902 0.89 RARB (0.37) HRH3RARBRARARARGTSHR
SCHEMBL20006707 0.88 RARB (0.41) HRH3RARBPSMB5RARARARG
SCHEMBL19999489 0.87 ACACB (0.40) RARBRARATSHRHSD17B10
SCHEMBL19999495 0.87 RARB (0.37) HRH3RARBAKR1C3AKR1C2RARA

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