SCHEMBL17084292

SCHEMBL17084292

CCCCCCCCCCOc1ccc(-c2ccc(C3CCC(CCCCC)CC3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.38
NR5A1 Q13285 1/20 0.38
PTPN11 Q06124 2/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR1B P28222 1/20 0.37
HTR2B P41595 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
LTA4H P09960 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR5 Q9H228 4/20 0.35

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
SCHEMBL17084299 1.00 RARB (0.38) RARBNR5A1PTPN11HTR2AHTR2C
SCHEMBL17084295 1.00 RARB (0.38) RARBNR5A1PTPN11HTR2AHTR2C
SCHEMBL17897396 0.96 HTR2A (0.37) RARBNR5A1PTPN11HTR2AHTR2C
SCHEMBL17897394 0.96 HPGD (0.40) RARBNR5A1PTPN11HTR2AHTR2C
SCHEMBL17897395 0.96 CHRM2 (0.36) RARBNR5A1PTPN11HTR2AHTR2C
SCHEMBL17897362 0.96 CHRM2 (0.37) RARBPTPN11HTR2AHTR2CHTR1B
SCHEMBL17897398 0.94 CHRM2 (0.36) RARBPTPN11CHRM2CHRM4CHRM5
SCHEMBL17897397 0.94 CHRM2 (0.36) RARBPTPN11HTR2AHTR2CHTR1B
SCHEMBL17898353 0.91 HRH3 (0.36)
SCHEMBL8935040 0.90 GAA (0.35) PTPN11HTR2CCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828548-B2 Liquid-crystal composition DIC CORPORATION (JP) 2017-11-28 US disclosed
US-20160194561-A1 DIFLUOROPHENYL LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2016-07-07 US disclosed
US-20160194561-A1 DIFLUOROPHENYL LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2016-07-07 US disclosed
US-20150259600-A1 LIQUID-CRYSTAL COMPOSITION DIC CORPORATION (JP) 2015-09-17 US disclosed