SCHEMBL5722504

SCHEMBL5722504

CC(=O)Nc1cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)cc(C(F)(F)F)c1.CC(=O)Nc1cc(COc2c(Cl)cc(NC(=O)CC(=O)O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
TACR1 P25103 1/20 0.37
ACP1 P24666 2/20 0.36
DHODH Q02127 4/20 0.36
NR2E1 Q9Y466 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35

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
SCHEMBL5104439 0.95 THRA (0.47) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL5119858 0.95 LMNA (0.44) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL5722507 0.91 THRA (0.38) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL5111277 0.87 ALDH1A1 (0.46) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL4931364 0.87 LMNA (0.44) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL5110472 0.87 THRB (0.47) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL4934596 0.87 THRA (0.47) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL4929444 0.86 ALDH1A1 (0.46) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL4931997 0.86 ALDH1A1 (0.46) THRATHRBLMNAALDH1A1MRGPRX4
SCHEMBL5722805 0.85 THRA (0.47) THRATHRBLMNAMRGPRX4NR2E1

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO disclosed