SCHEMBL20004878

SCHEMBL20004878

CCCCc1ccc2cc(-c3ccc(C#Cc4cc(F)c(-c5ccc(C)cc5)cc4C)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
FFAR1 O14842 2/20 0.35
PSMB5 P28074 1/20 0.35
RARB P10826 4/20 0.34
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SKP2 Q13309 1/20 0.32
BACE1 P56817 1/20 0.32
MPL P40238 2/20 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
SCHEMBL19999457 0.94 HRH3 (0.38) HRH3FFAR1PSMB5RARBRARA
SCHEMBL20005285 0.91 FFAR1 (0.40) HRH3FFAR1RARBRARARARG
SCHEMBL19999496 0.91 RARB (0.39) HRH3FFAR1PSMB5RARBRARA
SCHEMBL19999635 0.87 RARB (0.42) HRH3FFAR1RARBRARARARG
SCHEMBL19999499 0.87 RARB (0.39) HRH3FFAR1RARBRARARARG
SCHEMBL20006705 0.87 BCHE (0.36) HRH3FFAR1PSMB5RARBRARA
SCHEMBL20005267 0.85 RARA (0.39) HRH3FFAR1RARBRARA
SCHEMBL20004894 0.85 RARA (0.39) HRH3FFAR1RARBRARA
SCHEMBL20006670 0.85 RARB (0.35) FFAR1PSMB5RARBRARARARG
SCHEMBL19999411 0.85 ACACB (0.38) HRH3FFAR1RARBRARARARG

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