SCHEMBL5722833

SCHEMBL5722833

CCC(=O)Nc1cc(C)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F.CCC(=O)Nc1cc(C)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.45
THRB P10828 8/20 0.45
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RIN1 Q13671 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL5116899 0.95 ALDH1A1 (0.39) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722481 0.92 THRA (0.44) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722584 0.91 THRA (0.36) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5112221 0.91 THRB (0.53) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL5722767 0.90 THRA (0.47) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722840 0.90 ALDH1A1 (0.38) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5717856 0.89 THRB (0.38) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722466 0.88 THRA (0.45) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5718235 0.88 ALDH1A1 (0.34) THRATHRBALDH1A1HPGDMEN1
SCHEMBL5722505 0.88 THRB (0.42) THRATHRBALDH1A1SMN1; SMN2MAPK1

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