SCHEMBL3955909

SCHEMBL3955909

CCOC(=O)CN(C(=O)Oc1ccc(OC)cc1)c1cc(Cl)c(Oc2ccc(OC)c(-c3ccccc3)c2)c(Cl)c1.CCOC(=O)CN(C(=O)Oc1ccc(OC)cc1)c1cc(Cl)c(Oc2ccc(OC)c(Cc3ccccc3)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.37
THRA P10827 5/20 0.37
ESR1 P03372 1/20 0.37
RORC P51449 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
BACE1 P56817 1/20 0.35
PPARG P37231 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LIPE Q05469 1/20 0.34
EDNRA P25101 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSPO P30536 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
SCHEMBL3221169 0.95 THRB (0.39) THRBESR1RORCUSP2LMNA
SCHEMBL3225821 0.93 THRB (0.40) THRBTHRARORCUSP2LMNA
SCHEMBL3224353 0.88 THRB (0.41) THRBESR1RORCUSP2LMNA
SCHEMBL3226580 0.86 THRB (0.42) THRBTHRARORCUSP2LMNA
SCHEMBL3225634 0.86 ALDH1A1 (0.39) THRBRORCUSP2LMNAPPARG
SCHEMBL3708448 0.84 THRB (0.45) THRBTHRAESR1RORCUSP2
SCHEMBL3701809 0.83 THRB (0.40) THRBESR1RORCUSP2LMNA
SCHEMBL3793749 0.82 THRB (0.41) THRBTHRARORCUSP2LMNA
SCHEMBL3227152 0.79 POLB (0.46) LMNAPPARGALDH1A1TSHRMAPT
SCHEMBL3793748 0.79 THRB (0.43) THRBTHRARORCUSP2LMNA

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-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP disclosed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed