SCHEMBL24809371

SCHEMBL24809371

C=CC(=O)OCCCCSc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(SCCCCOC(=O)C=C)cc4)cc3C)c(C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PTGS2 P35354 1/20 0.33
FFAR1 O14842 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ACACB O00763 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
SCHEMBL24806610 0.96 THRB (0.40) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL24806608 0.92 THRB (0.37) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL24808445 0.87 THRB (0.34) TSHRHPGDTHRBPPARDPPARA
SCHEMBL24809378 0.86 PPARD (0.32) TSHRHPGDPPARDPPARA
SCHEMBL24806600 0.86 THRB (0.47) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL24806719 0.86 THRB (0.33) THRBPPARDPPARA
SCHEMBL24806743 0.85 TSHR (0.36) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL24809377 0.84 HPGD (0.35) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL24808450 0.84 ACACB (0.33) HPGDTHRBPPARDPPARAACACB
SCHEMBL24806605 0.84 THRB (0.47) TSHRALDH1A1CYP3A4HPGDTHRB

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
WO-2022270562-A1 COMPOUND, COMPOSITION, CURED PRODUCT, OPTICALLY ANISOTROPIC BODY, OPTICAL ELEMENT, AND LIGHT GUIDE ELEMENT 富士フイルム株式会社 2022-12-29 WO disclosed