SCHEMBL4960799

SCHEMBL4960799

COc1ccc(Oc2c(Cl)cc(C(=O)O)cc2Cl)cc1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.46
THRA P10827 2/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RORC P51449 2/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGER4 P35408 1/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL282509 0.90 ATM (0.46) THRBTHRAALDH1A1GAARORC
SCHEMBL282344 0.85 THRB (0.59) THRBTHRAALDH1A1GAARORC
SCHEMBL18918559 0.85 THRB (0.48) THRBTHRARORC
SCHEMBL8892263 0.84 THRB (0.43) THRBTHRARORCHTR2ASLC6A4
SCHEMBL18932877 0.82 THRB (0.46) THRBTHRAALDH1A1RORCHTR2A
SCHEMBL8892137 0.82 MAPT (0.43) THRBTHRAALDH1A1GAARORC
SCHEMBL8892393 0.80 EGFR (0.43) THRBTHRAALDH1A1RORCHTR2A
SCHEMBL18932875 0.80 THRB (0.55) THRBTHRARORC
SCHEMBL18998446 0.78 THRB (0.40) THRBTHRARORCHTR2ASLC6A4
SCHEMBL23863340 0.78 THRB (0.45) THRBTHRARORCHTR2ASLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed