SCHEMBL8970864

SCHEMBL8970864

CCCCCCCOc1ccc(-c2ccc(-c3ccc(COC4COC(CCCCC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.37
GBA1 P04062 2/20 0.35
LCT P09848 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
PTPN11 Q06124 6/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
NAAA Q02083 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PPARD Q03181 2/20 0.31
ENPP2 Q13822 2/20 0.31
CNR2 P34972 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
SCHEMBL8970851 0.88 NAAA (0.41) GBA1LCTUGCGGBA2MGAM
SCHEMBL8970853 0.87 NAAA (0.32) PTPN11NAAA
SCHEMBL8971025 0.87 NAAA (0.32) PTPN11NAAA
SCHEMBL8969819 0.86 RARB (0.42) RARBGBA1LCTUGCGGBA2
SCHEMBL8953724 0.84 FPR2 (0.36) RARBPTPN11PPARD
SCHEMBL8953675 0.84 FPR2 (0.36) RARBPTPN11PPARD
SCHEMBL8953332 0.84 FPR2 (0.36) RARBPTPN11PPARD
SCHEMBL8953720 0.84 FPR2 (0.36) RARBPTPN11PPARD
SCHEMBL8953695 0.84 FPR2 (0.36) RARBPTPN11PPARD
SCHEMBL8953544 0.84 FPR2 (0.36) RARBPTPN11PPARD

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