SCHEMBL6988067

SCHEMBL6988067

CCC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(O)cc3C(F)(F)F)cc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.54
THRB P10828 15/20 0.54
TRPV1 Q8NER1 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL6985722 0.86 THRA (0.56) THRATHRBTRPV1HTR2AHTR2C
SCHEMBL6516365 0.85 THRB (0.74) THRATHRB
SCHEMBL6513874 0.85 THRA (0.60) THRATHRBTRPV1MTNR1AMTNR1B
SCHEMBL7171265 0.84 THRA (0.49) THRATHRBTRPV1HTR2AHTR2C
SCHEMBL6981325 0.83 THRA (0.48) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7089038 0.83 THRA (0.58) THRATHRBTRPV1HTR2AHTR2C
SCHEMBL7088995 0.81 THRA (0.56) THRATHRBTRPV1HTR2AHTR2C
SCHEMBL6985253 0.80 HTR1A (0.45) THRATHRBHTR2AMTNR1A
SCHEMBL6514295 0.80 THRA (0.84) THRATHRBTRPV1HTR2AHTR2C
SCHEMBL6512449 0.79 THRA (0.67) THRATHRBTRPV1HTR2AHTR2C

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