SCHEMBL5330306

SCHEMBL5330306

CCC(C)c1cc(Oc2c(C)cc(N3C(=O)CNC3=O)cc2C)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.43
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35
GAA P10253 1/20 0.35
THRA P10827 7/20 0.34
CRHR1 P34998 1/20 0.33

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
SCHEMBL5328906 0.90 THRB (0.48) THRBRORCGAATHRA
SCHEMBL5326865 0.89 RORC (0.46) THRBMEN1POLBRECQLKMT2A
SCHEMBL5327815 0.88 THRB (0.53) THRBTHRA
SCHEMBL5327796 0.80 THRB (0.64) THRBTHRA
SCHEMBL5327062 0.80 THRB (0.45) THRBRORCTHRACRHR1
SCHEMBL5323878 0.78 RORC (0.55) THRBRORCTHRA
SCHEMBL5326814 0.77 THRB (0.46) THRBMEN1POLBRECQLKMT2A
SCHEMBL5326880 0.73 RORC (0.38) THRBMEN1POLBRECQLKMT2A
SCHEMBL7555866 0.69 THRB (0.47) THRBMEN1KMT2ARORCTHRA
SCHEMBL5326859 0.69 THRB (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO claimed