SCHEMBL7140868

SCHEMBL7140868

Cc1c[c]cc(C(F)(F)F)c1Oc1ccc2[nH]cc(C(C)C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.58
THRB P10828 14/20 0.58
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
AR P10275 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL6989238 0.88 THRA (0.57) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7093101 0.83 THRA (0.62) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7088864 0.83 THRA (0.47) THRATHRBAR
SCHEMBL7088995 0.83 THRA (0.56) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7090270 0.80 THRA (0.56) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7082352 0.80 THRA (0.69) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7093058 0.79 THRA (0.41) THRATHRBHTR2B
SCHEMBL6987444 0.79 THRA (0.49) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7171265 0.79 THRA (0.49) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7090894 0.78 THRA (0.41) THRATHRBMTNR1AMTNR1B

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