SCHEMBL3990201

SCHEMBL3990201

COc1ccc(-c2[nH]c3ccc(Oc4c(Cl)cc(CC(=O)OC(=O)CCc5cc(Br)c(Oc6ccc7[nH]c(-c8ccc(OC)cc8)c(C)c7c6)c(Br)c5)cc4Cl)cc3c2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.39
THRB P10828 10/20 0.39
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3990206 0.90 THRA (0.48) THRATHRBPPARG
SCHEMBL4528982 0.84 THRA (0.49) THRATHRBALOX5PPARGMTNR1A
SCHEMBL4532920 0.84 THRA (0.49) THRATHRBALOX5PPARGMTNR1A
SCHEMBL4522383 0.82 THRB (0.52) THRATHRBALOX5PPARG
SCHEMBL3990040 0.78 THRB (0.52) THRATHRB
SCHEMBL4518429 0.77 ALOX5 (0.47) THRATHRBALOX5PPARGMTNR1A
SCHEMBL4527795 0.76 THRB (0.52) THRATHRBALOX5PPARGMTNR1A
SCHEMBL3991551 0.75 ALOX5 (0.49) THRATHRBALOX5PPARGMTNR1A
SCHEMBL4508675 0.75 THRB (0.61) THRATHRB
SCHEMBL4518871 0.74 THRA (0.48) THRATHRBALOX5PPARGKDM4E

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-2035377-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2009-03-18 EP disclosed
WO-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 WO disclosed