SCHEMBL7288606

SCHEMBL7288606

CCCCOc1ccc(NC(=O)CCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ RNF4 P78317 1/20 0.58
▸ FAAH O00519 9/20 0.57
▸ HTT P42858 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ RECQL P46063 1/20 0.54

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
SCHEMBL14704320 0.93 GAA (0.56) GAAL3MBTL1ALDH1A1POLBRNF4
SCHEMBL31022551 0.87 GAA (0.67) GAAL3MBTL1ALDH1A1POLBFAAH
SCHEMBL29270204 0.87 POLB (0.77) ALDH1A1POLBRNF4HTTKDM4E
SCHEMBL9390735 0.85 L3MBTL1 (0.74) GAAL3MBTL1ALDH1A1POLBFAAH
SCHEMBL14702216 0.85 MAPT (0.55) GAAL3MBTL1ALDH1A1FAAHHTT
SCHEMBL4543223 0.84 POLB (0.65) GAAL3MBTL1ALDH1A1POLBFAAH
SCHEMBL8693936 0.84 GAA (0.63) GAAL3MBTL1ALDH1A1POLBFAAH
SCHEMBL4423437 0.83 GAA (0.70) GAAL3MBTL1FAAHMAPT
SCHEMBL10957894 0.82 RNF4 (0.52) GAAL3MBTL1ALDH1A1POLBRNF4
SCHEMBL6692679 0.82 CA12 (0.58) GAAL3MBTL1ALDH1A1POLBFAAH

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
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 — — US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 — — US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 — — US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 — — EP disclosed
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