SCHEMBL9508886

SCHEMBL9508886

CCCCCCCCCCc1ccc(C(=O)N(Cc2ccccc2)OCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
RARB P10826 4/20 0.50
STAT3 P40763 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 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
SCHEMBL9506028 0.85 THRA (0.52) THRATHRBRARBMEN1ALDH1A1
SCHEMBL27671411 0.84 THRA (0.53) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9508914 0.82 THRA (0.56) THRATHRBRARBSTAT3MEN1
SCHEMBL9506847 0.82 TNNC1 (0.42)
SCHEMBL9506854 0.82 TNNC1 (0.42)
SCHEMBL9506911 0.81 THRA (0.57) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504824 0.81 THRA (0.50) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9504783 0.79 THRA (0.51) THRATHRBRARBMEN1ALDH1A1
SCHEMBL9836712 0.79 BCHE (0.49) MEN1KMT2A
SCHEMBL9508204 0.78 THRA (0.50) THRATHRBMEN1KMT2A

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