SCHEMBL9508807

SCHEMBL9508807

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
THRA P10827 10/20 0.51
THRB P10828 10/20 0.51
RARB P10826 4/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP4Z1 Q86W10 1/20 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
SCHEMBL9504798 0.86 THRA (0.58) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9508859 0.86 THRA (0.61) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504692 0.86 THRA (0.58) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504560 0.86 THRA (0.58) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9506907 0.85 THRA (0.56) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9508833 0.85 THRA (0.56) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504816 0.85 THRA (0.56) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504727 0.85 THRA (0.56) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504766 0.83 THRA (0.58) THRATHRBRARBMEN1ALDH1A1
SCHEMBL10929511 0.83 CYP4Z1 (0.60) ALOX5THRATHRBRARBALDH1A1

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 3 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
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