SCHEMBL9504858

SCHEMBL9504858

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.57
THRB P10828 11/20 0.57
RARB P10826 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RARA P10276 1/20 0.55
MAPT P10636 1/20 0.55
MTOR P42345 1/20 0.55
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL7140622 0.98 THRA (0.55) THRATHRBRARBMEN1KMT2A
SCHEMBL8115787 0.87 ESR1 (0.54) THRATHRBKMT2AALDH1A1MAPT
SCHEMBL9504888 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504768 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504808 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9508248 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9508189 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504685 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504649 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL9504762 0.83 THRA (0.61) THRATHRBRARBMEN1KMT2A

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