SCHEMBL29901503

SCHEMBL29901503

C=C(C)c1cc(OCC(=O)OCC)c(F)c(Cl)c1Cc1ccc(O)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 16/20 0.46
▸ THRA P10827 15/20 0.46
▸ CASP3 P42574 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ ADRB3 P13945 2/20 0.36
▸ ESR1 P03372 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
SCHEMBL23409841 1.00 THRB (0.46) THRBTHRACASP3CASP7CASP9
SCHEMBL23409902 0.89 THRB (0.58) THRBTHRA
SCHEMBL29901409 0.89 THRB (0.58) THRBTHRA
SCHEMBL29901477 0.89 THRB (0.50) THRBTHRACASP3CASP7CASP9
SCHEMBL23409441 0.89 THRB (0.50) THRBTHRACASP3CASP7CASP9
SCHEMBL23409442 0.88 THRA (0.54) THRBTHRAADRB3ESR1
SCHEMBL29901446 0.88 THRB (0.53) THRBTHRAADRB3ESR1
SCHEMBL23409434 0.88 THRB (0.53) THRBTHRAADRB3ESR1
SCHEMBL23409513 0.88 THRB (0.49) THRBTHRACASP3CASP7CASP9
SCHEMBL23409588 0.87 THRA (0.48) THRBTHRACASP3CASP7CASP9

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
EP-4065098-A1 NOVEL THYROMIMETICS Autobahn Therapeutics, Inc. (US) 2022-10-05 — — EP disclosed
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