SCHEMBL14088570

SCHEMBL14088570

C=CC(=O)OCCCCCCOc1ccc(CCC(=O)Oc2ccc(OC(=O)CCc3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.40
P2RY10 O00398 4/20 0.38
PPARG P37231 3/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
AKR1C3 P42330 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
GPR174 Q9BXC1 3/20 0.35
LMNA P02545 1/20 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
SCHEMBL14088569 0.99 THRB (0.40) THRBP2RY10PPARGPPARDPPARA
SCHEMBL14088407 0.93 THRB (0.43) THRBP2RY10PPARGHTTALDH1A1
SCHEMBL14588364 0.92 THRB (0.44) THRBP2RY10PPARGPPARAHTT
SCHEMBL12567643 0.89 THRB (0.39) THRBPPARGPPARDPPARAFFAR1
SCHEMBL14088574 0.87 CA12 (0.34) THRBPPARAALDH1A1CYP3A4TSHR
SCHEMBL14088573 0.86 THRB (0.35) THRBPPARGPPARDPPARAFFAR1
SCHEMBL12110790 0.82 THRB (0.40) THRBFFAR1AKR1C3
SCHEMBL14185457 0.81 THRB (0.39) THRBPPARGPPARDPPARAFFAR1
SCHEMBL14588373 0.81 ALDH1A1 (0.37) THRBPPARAALDH1A1CYP3A4TSHR
SCHEMBL14088581 0.81 THRB (0.47) THRBPPARGPPARDPPARAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410677-B2 Organosilicon compound-containing polymerizable liquid-crystal composition CHISSO CORPORATION (JP) 2008-08-12 US disclosed
US-7410677-B2 Organosilicon compound-containing polymerizable liquid-crystal composition CHISSO CORPORATION (JP) 2008-08-12 US disclosed