SCHEMBL9504824

SCHEMBL9504824

CCCCCCCCCCc1ccc(C(=O)N(CC(=O)O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
RARB P10826 4/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
PLK1 P53350 3/20 0.47
PLK3 Q9H4B4 3/20 0.47
CETP P11597 2/20 0.46

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
SCHEMBL9508204 0.85 THRA (0.50) THRATHRBMEN1KMT2A
SCHEMBL9508886 0.81 THRA (0.52) THRATHRBRARBMEN1ALDH1A1
SCHEMBL27671415 0.80 THRA (0.49) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9506911 0.80 THRA (0.57) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504683 0.79 PPARA (0.51)
SCHEMBL9508869 0.77 PPARA (0.52)
SCHEMBL9506257 0.77 RARB (0.57) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9506922 0.77 RARB (0.57) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504851 0.77 RARB (0.57) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9506967 0.77 RARB (0.57) THRATHRBRARBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed