SCHEMBL6273618

SCHEMBL6273618

Cc1cc2[nH]c(OC(=O)O)cc2c(C)c1Oc1ccc(O)c(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 17/20 0.51
▸ THRA P10827 11/20 0.51
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ ADAM17 P78536 1/20 0.30
▸ EGLN1 Q9GZT9 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
SCHEMBL6273498 0.99 THRB (0.52) THRBTHRA
SCHEMBL6268739 0.97 THRB (0.54) THRBTHRA
SCHEMBL1642414 0.88 THRB (0.53) THRBTHRAEGLN1
SCHEMBL1641844 0.87 THRB (0.53) THRBTHRA
SCHEMBL1641382 0.85 THRB (0.55) THRBTHRA
SCHEMBL6268718 0.82 THRB (0.46) THRBTHRA
SCHEMBL6271809 0.82 THRB (0.54) THRBTHRAMAOAEGLN1
SCHEMBL6271002 0.82 THRB (0.41) THRBTHRA
SCHEMBL6270958 0.82 THRB (0.51) THRBTHRAMAOAMAOBMMP13
SCHEMBL6272078 0.81 THRA (0.42) THRBTHRA

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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