SCHEMBL9504756

SCHEMBL9504756

CCCCCCCCCCc1ccc(C(=O)NO)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.73
HDAC8 Q9BY41 2/20 0.65
PLK1 P53350 1/20 0.65
SMPD1 P17405 2/20 0.62
THRA P10827 5/20 0.61
THRB P10828 5/20 0.61
RARB P10826 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.61
RARA P10276 1/20 0.61
MAPT P10636 1/20 0.61
MTOR P42345 1/20 0.61
HAO1 Q9UJM8 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59

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
SCHEMBL8060359 0.98 HDAC1 (0.70) HDAC1HDAC8PLK1SMPD1THRA
Acetic Acid SCHEMBL9504786 0.95 HDAC1 (0.71) HDAC1HDAC8PLK1SMPD1THRA
Acetic Acid SCHEMBL9504741 0.95 HDAC1 (0.71) HDAC1HDAC8PLK1SMPD1THRA
SCHEMBL4185605 0.95 RARB (0.69) HDAC1HDAC8PLK1SMPD1THRA
SCHEMBL6919330 0.93 PLK1 (0.74) HDAC1HDAC8PLK1THRATHRB
SCHEMBL21628684 0.91 HDAC1 (0.61) HDAC1HDAC8PLK1SMPD1THRA
SCHEMBL21628550 0.89 HDAC1 (0.59) HDAC1HDAC8PLK1SMPD1THRB
SCHEMBL4824490 0.86 PLK1 (0.65) PLK1THRATHRBRARBMEN1
SCHEMBL9164847 0.86 PLK1 (0.65) PLK1THRATHRBRARBMEN1
SCHEMBL9206725 0.86 PLK1 (0.65) PLK1THRATHRBRARBMEN1

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