SCHEMBL4964236

SCHEMBL4964236

Cc1cc(NC(=O)CC(=O)O)cc(Cl)c1Oc1cccc(C(=O)NC(C(C)C)C(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.46
THRA P10827 8/20 0.46
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GBA1 P04062 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
DHODH Q02127 1/20 0.39
RORC P51449 1/20 0.37
POLB P06746 1/20 0.37
STK39 Q9UEW8 2/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 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
SCHEMBL1642152 0.83 THRB (0.59) THRBTHRA
SCHEMBL4963674 0.77 THRB (0.53) THRBTHRARORC
SCHEMBL4963302 0.73 THRB (0.70) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL4963142 0.71 THRB (0.65) THRBTHRA
SCHEMBL7127009 0.70 THRA (0.46) THRBTHRA
SCHEMBL4963206 0.70 THRB (0.51) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL4962115 0.69 THRB (0.55) THRBTHRARORC
SCHEMBL7062475 0.69 THRB (0.52) THRBTHRAMEN1KMT2ARORC
SCHEMBL4964591 0.68 THRB (0.51) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL4965136 0.67 THRB (0.56) THRBTHRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP claimed