SCHEMBL7597002

SCHEMBL7597002

COc1ccc(Oc2c(C)cc(N3CCCCC3)cc2C)cc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.47
RORC P51449 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRA P10827 3/20 0.39
HIF1A Q16665 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 1/20 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
SCHEMBL7555866 0.99 THRB (0.47) THRBRORCALDH1A1TSHRMEN1
SCHEMBL6775887 0.81 THRB (0.36) THRBALDH1A1MEN1KMT2AHIF1A
SCHEMBL5328906 0.78 THRB (0.48) THRBRORCTHRAMCHR1
SCHEMBL282179 0.78 THRB (0.56) THRBRORCTHRA
SCHEMBL282017 0.78 THRB (0.53) THRBRORCMEN1KMT2ATHRA
SCHEMBL13913523 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2AHIF1A
Hydrochloric Acid SCHEMBL8800518 0.77 THRB (0.52) THRBRORCMEN1KMT2ATHRA
SCHEMBL5328904 0.76 THRB (0.50) THRBRORCTHRAMCHR1
SCHEMBL7590192 0.76 ALDH1A1 (0.43) THRBALDH1A1TSHRMEN1KMT2A
SCHEMBL282127 0.76 THRB (0.57) THRBRORCTHRA

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-1183074-A1 SUBSTITUTED BIARYL ETHER COMPOUNDS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-03-06 EP disclosed
WO-2000072920-A1 SUBSTITUTED BIARYL ETHER COMPOUNDS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 WO disclosed