SCHEMBL5333097

SCHEMBL5333097

O=C1CN(c2cc(Br)c(Oc3ccc(O)c(C(=O)NC4CC5CCC4C5)c3)c(Br)c2)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.39
THRA P10827 10/20 0.39
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5326974 0.90 THRB (0.49) THRBTHRAHSD17B10ALDH1A1KDM4E
SCHEMBL5331470 0.90 KMT2A (0.39) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL6219048 0.81 THRB (0.60) THRBTHRA
SCHEMBL5328035 0.80 THRB (0.42) THRBTHRAHSD17B10ALDH1A1KDM4E
SCHEMBL5324532 0.73 THRB (0.65) THRBTHRAALDH1A1KDM4EHPGD
SCHEMBL1642315 0.71 THRB (0.74) THRBTHRA
SCHEMBL5328690 0.71 THRB (0.44) THRBTHRAHSD17B10ALDH1A1KDM4E
SCHEMBL5322037 0.70 THRB (0.48) THRBTHRA
SCHEMBL7043128 0.70 THRB (0.42) THRBTHRAHSD17B10ALDH1A1KDM4E
SCHEMBL3222490 0.69 THRB (0.44) THRBTHRAHSD17B10ALDH1A1KDM4E

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