SCHEMBL7258380

SCHEMBL7258380

CCS(=O)(=O)c1cc(Oc2c(Cl)c(F)nc(NCC(=O)O)c2Cl)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 9/20 0.39
▸ THRB P10828 9/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ PIN1 Q13526 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL6695481 0.91 THRA (0.37) THRATHRBPIN1HIF1A
SCHEMBL6697155 0.86 L3MBTL1 (0.39) THRATHRBALDH1A1HIF1A
SCHEMBL6694254 0.86 CA12 (0.34) THRATHRBALDH1A1PIN1
SCHEMBL6692436 0.86 ATM (0.39) THRATHRB
SCHEMBL6699450 0.84 THRB (0.39) THRATHRBALDH1A1PIN1
SCHEMBL6693202 0.83 THRA (0.54) THRATHRB
Methane SCHEMBL6690821 0.82 THRA (0.53) THRATHRB
SCHEMBL6695738 0.80 THRB (0.53) THRATHRB
SCHEMBL6692015 0.80 THRB (0.47) THRATHRBPIN1
SCHEMBL6695033 0.78 THRB (0.59) THRATHRB

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-2003094845-A2 PYRIDINE-BASED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-20 — — WO disclosed
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