SCHEMBL8971099

SCHEMBL8971099

CCCCCC1COC(OCc2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.33
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 2/20 0.32
PTPN11 Q06124 2/20 0.31
PPARD Q03181 2/20 0.31
CNR2 P34972 1/20 0.31
GBA1 P04062 2/20 0.30
LCT P09848 2/20 0.30
UGCG Q16739 2/20 0.30
GBA2 Q9HCG7 2/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30

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
SCHEMBL8970751 0.86 NAAA (0.39) PTPN11PPARDCNR2GBA1LCT
SCHEMBL8969535 0.85 RARB (0.39) RARBS1PR1S1PR3PPARDCNR2
SCHEMBL8970766 0.84 CNR2 (0.32) PTPN11CNR2
SCHEMBL8970864 0.84 RARB (0.37) RARBS1PR1S1PR3PTPN11PPARD
SCHEMBL8970756 0.83 RARB (0.33) RARBGBA1LCTUGCGGBA2
SCHEMBL8948466 0.83 FPR2 (0.33) RARBS1PR1S1PR3PPARD
SCHEMBL8969819 0.83 RARB (0.42) RARBS1PR1S1PR3PTPN11GBA1
SCHEMBL8948506 0.82 FPR2 (0.33) RARBPTPN11PPARD
SCHEMBL8971484 0.82 PPARD (0.40) RARBS1PR1S1PR3PTPN11PPARD
SCHEMBL8972099 0.82 PPARD (0.37) PPARD

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed