SCHEMBL7584863

SCHEMBL7584863

COc1ccc(Oc2c(C)cc(NC(=O)c3ccccc3)cc2C)cc1C(C)C

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.57
RORC P51449 2/20 0.57
THRA P10827 3/20 0.55
AR P10275 1/20 0.54
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.50
PGR P06401 1/20 0.49

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
SCHEMBL22959249 0.88 RORC (0.73) THRBRORCTHRAHTTLMNA
SCHEMBL7097286 0.85 THRB (0.75) THRBRORCTHRA
SCHEMBL6765992 0.84 AR (0.52) THRBTHRAARHTTRAB9A
SCHEMBL7094647 0.83 THRB (0.61) THRBRORCTHRA
SCHEMBL8799875 0.82 THRB (0.60) THRBRORCTHRA
SCHEMBL8892202 0.82 THRB (0.54) THRBRORCTHRA
SCHEMBL8798523 0.81 THRB (0.54) THRBRORCTHRA
SCHEMBL282165 0.81 THRB (0.53) THRBRORCTHRA
SCHEMBL282114 0.80 THRB (0.51) THRBRORCTHRA
SCHEMBL8912986 0.79 THRB (0.56) 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