SCHEMBL6268718

SCHEMBL6268718

Cc1cc2[nH]c(OC(=O)O)cc2c(C)c1Oc1ccc(O)c(S(=O)(=O)NC2CCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.46
▸ BRD4 O60885 6/20 0.40
▸ BRD3 Q15059 2/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ THRA P10827 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MCOLN3 Q8TDD5 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
SCHEMBL6271002 0.97 THRB (0.41) THRBBRD4BRD3BRD2THRA
SCHEMBL1642115 0.88 THRB (0.47) THRBBRD4BRD3BRD2THRA
SCHEMBL6794754 0.86 THRB (0.46) THRBBRD4BRD3BRD2THRA
SCHEMBL6795305 0.85 THRB (0.47) THRBBRD4BRD3BRD2THRA
SCHEMBL6268739 0.85 THRB (0.54) THRBTHRA
SCHEMBL1640702 0.84 THRB (0.47) THRBBRD4BRD3BRD2THRA
SCHEMBL6273498 0.83 THRB (0.52) THRBTHRA
SCHEMBL6273618 0.82 THRB (0.51) THRBTHRA
SCHEMBL6273242 0.81 THRB (0.49) THRBBRD4BRD3BRD2THRA
SCHEMBL6269989 0.80 THRB (0.46) THRBBRD4BRD3BRD2THRA

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-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 — — EP claimed
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