SCHEMBL25008934

SCHEMBL25008934

C=CC(=O)OCCCCOc1ccc(NNc2ccc(NNc3ccc(OCCCCOC(=O)C=C)c(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
S1PR1 P21453 4/20 0.42
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
THRA P10827 1/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 3/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL25008931 0.83 THRB (0.58) THRBS1PR1TSHRALDH1A1CYP3A4
SCHEMBL25008933 0.83 THRB (0.45) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL25491779 0.83 PPARA (0.49) THRBS1PR1TSHRALDH1A1CYP3A4
SCHEMBL20781160 0.83 PPARA (0.49) THRBS1PR1TSHRALDH1A1CYP3A4
SCHEMBL14597345 0.78 MRGPRX4 (0.47) THRBS1PR1TSHRALDH1A1CYP3A4
SCHEMBL12242587 0.77 THRB (0.41) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL21339970 0.77 PPARG (0.42) THRBS1PR1TSHRALDH1A1CYP3A4
SCHEMBL5952860 0.77 HTT (0.41) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL23730215 0.77 TSHR (0.50) THRBS1PR1TSHRALDH1A1CYP3A4
SCHEMBL25008939 0.76 THRB (0.45) THRBS1PR1TSHRALDH1A1CYP3A4

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-20230039106-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-02-09 US disclosed