SCHEMBL9504727

SCHEMBL9504727

CCCCCCCCCCc1ccc(C(=O)N(O)CCCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.56
THRB P10828 8/20 0.56
S1PR1 P21453 3/20 0.54
S1PR3 Q99500 3/20 0.54
S1PR2 O95136 2/20 0.54
RARB P10826 5/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
RARA P10276 1/20 0.54
MAPT P10636 1/20 0.54
MTOR P42345 1/20 0.54
KMT2A Q03164 1/20 0.54
PLA2G1B P04054 2/20 0.50
ATG4B Q9Y4P1 2/20 0.50

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
SCHEMBL9506106 0.96 THRA (0.54) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL9508859 0.90 THRA (0.61) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504692 0.90 THRA (0.58) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504798 0.90 THRA (0.58) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504560 0.90 THRA (0.58) THRATHRBRARBALDH1A1MEN1
SCHEMBL9508833 0.89 THRA (0.56) THRATHRBRARBALDH1A1MEN1
SCHEMBL9506907 0.89 THRA (0.56) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504816 0.89 THRA (0.56) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504766 0.87 THRA (0.58) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504721 0.85 THRA (0.63) THRATHRBRARBALDH1A1MEN1

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 8 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 claimed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US claimed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP claimed
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