SCHEMBL5722767

SCHEMBL5722767

Cc1cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c(F)c(NC(=O)C(C)C)c1.Cc1cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c(F)c(NC(=O)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.47
THRB P10828 11/20 0.47
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RIN1 Q13671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 1/20 0.34
MDM2 Q00987 1/20 0.33
TOP2A P11388 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5111554 0.95 THRA (0.38) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722620 0.92 THRA (0.45) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5717856 0.92 THRB (0.38) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722584 0.91 THRA (0.36) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5103433 0.91 THRA (0.54) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL5722833 0.90 THRA (0.45) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722776 0.89 THRB (0.38) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5717861 0.88 THRA (0.36) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5119943 0.86 ALDH1A1 (0.38) THRATHRBALDH1A1HPGDMEN1
SCHEMBL4931300 0.86 ALDH1A1 (0.37) ALDH1A1HPGDMEN1ABL1LMNA

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