SCHEMBL8933647

SCHEMBL8933647

C/C=C/C1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCCCC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
FPR2 P25090 3/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
FASN P49327 1/20 0.32
PPARD Q03181 1/20 0.32
PTPN11 Q06124 2/20 0.31
KDM1A O60341 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL8933654 1.00 RARB (0.34) RARBFPR2THRATHRBFASN
SCHEMBL8933584 1.00 RARB (0.34) RARBFPR2THRATHRBFASN
SCHEMBL8933708 1.00 RARB (0.34) RARBFPR2THRATHRBFASN
SCHEMBL8933435 0.99 FPR2 (0.33) RARBFPR2THRATHRBFASN
SCHEMBL8959349 0.97 RARB (0.32) RARBFPR2THRATHRBFASN
SCHEMBL8959395 0.97 RARB (0.32) RARBFPR2THRATHRBFASN
SCHEMBL8964820 0.97 RARB (0.32) RARBFPR2THRATHRBFASN
SCHEMBL8959341 0.97 RARB (0.32) RARBFPR2THRATHRBFASN
SCHEMBL8959339 0.96 FPR2 (0.32) RARBFPR2FASNPPARD
SCHEMBL8933682 0.96 PDE4A (0.33) FPR2FASNPPARDKDM1ACYP3A4

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