SCHEMBL5326974

SCHEMBL5326974

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.49
THRA P10827 5/20 0.49
CNR2 P34972 2/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CNR1 P21554 1/20 0.36
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL5333097 0.90 THRB (0.39) THRBTHRAHSD17B10KDM4EALDH1A1
SCHEMBL5328035 0.90 THRB (0.42) THRBTHRACNR2HSD17B10KDM4E
SCHEMBL5324532 0.84 THRB (0.65) THRBTHRAKDM4EALDH1A1HPGD
SCHEMBL5328690 0.81 THRB (0.44) THRBTHRACNR2HSD17B10KDM4E
SCHEMBL1642315 0.81 THRB (0.74) THRBTHRA
SCHEMBL5331470 0.80 KMT2A (0.39) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL7043128 0.78 THRB (0.42) THRBTHRACNR2HSD17B10KDM4E
SCHEMBL3222490 0.78 THRB (0.44) THRBTHRACNR2HSD17B10KDM4E
SCHEMBL5327228 0.76 THRB (0.42) THRBTHRA
SCHEMBL6662999 0.75 THRB (0.50) THRBTHRACNR2HSD17B10EPHX2

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