SCHEMBL6275290

SCHEMBL6275290

Cc1cc2[nH]c(OC(=O)O)cc2c(C)c1Oc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ THRB P10828 6/20 0.36
▸ THRA P10827 4/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL1640505 0.87 THRB (0.47) PTGS1PTGS2THRBTHRALMNA
SCHEMBL6274795 0.84 THRB (0.45) PTGS1PTGS2THRBTHRALMNA
SCHEMBL6273741 0.84 THRB (0.42) PTGS1PTGS2THRBTHRALMNA
SCHEMBL6274873 0.82 THRA (0.45) PTGS1PTGS2THRBTHRALMNA
SCHEMBL6273680 0.81 THRB (0.51) THRBTHRA
SCHEMBL6275882 0.80 THRA (0.51) THRBTHRA
SCHEMBL1642728 0.80 THRB (0.45) PTGS1PTGS2THRBTHRALMNA
SCHEMBL6271002 0.80 THRB (0.41) THRBTHRASMN1; SMN2
SCHEMBL6274415 0.80 THRB (0.35) PTGS1PTGS2THRBTHRAKDM4E
SCHEMBL6273498 0.78 THRB (0.52) 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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