SCHEMBL9504831

SCHEMBL9504831

CCN(O)C(=O)c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
HDAC1 Q13547 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PPARG P37231 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
RCE1 Q9Y256 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL9504847 0.88 ALOX5 (0.55) ALOX5HDAC1THRATHRBRCE1
SCHEMBL9504801 0.87 THRA (0.58) ALDH1A1MAPTTHRATHRB
SCHEMBL9504638 0.85 ALOX5 (0.64) ALOX5HDAC1HDAC8RCE1HDAC6
SCHEMBL9504721 0.84 THRA (0.63) ALOX5ALDH1A1MAPTTHRATHRB
SCHEMBL9508914 0.84 THRA (0.56) ALOX5ALDH1A1MAPTTHRATHRB
SCHEMBL9506078 0.83 ALOX5 (0.63) ALOX5HDAC1MAPTTHRATHRB
SCHEMBL16794763 0.82 ALDH1A1 (0.58) HDAC1ALDH1A1HPGDMAPTHDAC6
SCHEMBL9123942 0.80 HPGD (0.48) ALDH1A1HPGDMAPT
SCHEMBL9506661 0.80 HDAC1 (0.48) ALOX5HDAC1MAPTTHRATHRB
SCHEMBL9504787 0.79 ALOX5 (0.50) ALOX5HDAC1MAPTTHRATHRB

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 5 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-1012500-B Process for preparing aryl hydroxamates SQUIBB & SONS INC (US) 1991-05-01 CN 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