SCHEMBL8971017

SCHEMBL8971017

CCCCCC1COC(C(=O)Oc2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.35
MCL1 Q07820 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
RARB P10826 2/20 0.34
PTPN11 Q06124 5/20 0.33
FFAR4 Q5NUL3 2/20 0.33
FFAR1 O14842 1/20 0.33
FAAH O00519 3/20 0.33
PTGS2 P35354 1/20 0.32
RARA P10276 1/20 0.32

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
SCHEMBL8971278 0.88 PTPN11 (0.38) S1PR1RARBPTPN11
SCHEMBL8971115 0.88 PTPN11 (0.38) PPARDS1PR1S1PR3RARBPTPN11
SCHEMBL8970987 0.85 RARB (0.34) MCL1S1PR1S1PR3RARBPTPN11
SCHEMBL8971819 0.84 RARB (0.37) PPARDS1PR1S1PR3RARBPTPN11
SCHEMBL8970738 0.84 S1PR1 (0.34) PPARDMCL1S1PR1S1PR3RARB
SCHEMBL8971484 0.82 PPARD (0.40) PPARDS1PR1S1PR3RARBPTPN11
SCHEMBL8948466 0.82 FPR2 (0.33) PPARDS1PR1S1PR3RARB
SCHEMBL8971848 0.81 GRM2 (0.35) PPARDS1PR1S1PR3FFAR4FFAR1
SCHEMBL8948506 0.81 FPR2 (0.33) PPARDRARBPTPN11
SCHEMBL8948452 0.80 FPR2 (0.35) PPARDRARBPTPN11

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