SCHEMBL6985722

SCHEMBL6985722

CCC(C)c1c[nH]c2ccc(Oc3c(C)cc(O)cc3Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.56
THRB P10828 14/20 0.56
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL6988067 0.86 THRA (0.54) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6516914 0.84 THRA (0.57) THRATHRBMTNR1AMTNR1B
SCHEMBL6519430 0.83 THRA (0.55) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7085352 0.81 THRA (0.53) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6511090 0.79 THRA (0.61) THRATHRBMTNR1AMTNR1B
SCHEMBL6515929 0.78 THRA (0.52) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6514286 0.78 THRA (0.62) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6514122 0.77 THRA (0.59) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7090946 0.77 THRA (0.51) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6515707 0.76 THRB (0.60) THRATHRBHTR2AHTR2CHTR2B

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-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed