SCHEMBL8971632

SCHEMBL8971632

CCCCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)OC4COC(CCCCC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.43
PPARD Q03181 2/20 0.40
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
PTPN11 Q06124 4/20 0.38
PLA2G2D Q9UNK4 1/20 0.36
PLA2G2A P14555 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMPD1 P17405 3/20 0.34

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
SCHEMBL8971756 0.89 PTPN11 (0.36) THRATHRBPTPN11PLA2G2D
SCHEMBL8971747 0.89 PTPN11 (0.36) THRATHRBPTPN11PLA2G2D
SCHEMBL8971564 0.88 PTPN11 (0.39) RARBPPARDTHRATHRBPTPN11
SCHEMBL8971484 0.83 PPARD (0.40) RARBPPARDTHRATHRBPTPN11
SCHEMBL8970864 0.83 RARB (0.37) RARBPPARDPTPN11
SCHEMBL8971819 0.82 RARB (0.37) RARBPPARDTHRATHRBPTPN11
SCHEMBL8953695 0.82 FPR2 (0.36) RARBPPARDTHRATHRBPTPN11
SCHEMBL8953724 0.82 FPR2 (0.36) RARBPPARDTHRATHRBPTPN11
SCHEMBL8953720 0.82 FPR2 (0.36) RARBPPARDTHRATHRBPTPN11
SCHEMBL8953332 0.82 FPR2 (0.36) RARBPPARDTHRATHRBPTPN11

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