SCHEMBL19722341

SCHEMBL19722341

CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(CC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.50
RARA P10276 2/20 0.49
RARG P13631 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
MCL1 Q07820 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL15829720 0.91 RARB (0.51) RARBRARARARGALDH1A1MEN1
SCHEMBL16807151 0.91 RARB (0.51) RARBRARARARGALDH1A1MEN1
SCHEMBL16807138 0.91 RARB (0.45) RARBRARARARGALDH1A1MEN1
SCHEMBL16807152 0.91 RARB (0.51) RARBRARARARGALDH1A1MEN1
SCHEMBL16807150 0.91 RARB (0.51) RARBRARARARGALDH1A1MEN1
SCHEMBL16807146 0.90 RARB (0.53) RARBRARARARGALDH1A1MEN1
SCHEMBL16807155 0.90 RARB (0.53) RARBRARARARGALDH1A1MEN1
SCHEMBL17063609 0.90 ESR1 (0.58) RARBRARARARGALDH1A1MEN1
SCHEMBL17183853 0.90 RARB (0.47) RARBRARARARGALDH1A1MEN1
SCHEMBL16807156 0.90 RARB (0.53) RARBRARARARGALDH1A1MEN1

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
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 EP disclosed