SCHEMBL7725838

SCHEMBL7725838

CCCCNC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HDAC3 O15379 1/20 0.42
POLB P06746 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL7724590 0.80 NAAA (0.40) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL7720015 0.80 HPGD (0.43) POLBALDH1A1HPGDL3MBTL1LMNA
SCHEMBL7720013 0.79 LMNA (0.39) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL7723365 0.77 ALDH1A1 (0.40) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL7724598 0.76 MGLL (0.49) KDM4ELMNAPAX8NAAATSHR
SCHEMBL7720001 0.74 LMNA (0.48) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL7724600 0.73 CYP2C9 (0.51) HDAC3POLBKMT2AHPGDLMNA
SCHEMBL7719994 0.72 ACHE (0.38) USP2TSHR
SCHEMBL7724416 0.71 EGFR (0.44) HDAC3POLBKMT2AALDH1A1HPGD
SCHEMBL7724420 0.71 EGFR (0.44) HDAC3POLBKMT2AALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403818-B1 ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND EISAI CO., LTD. (JP) 2002-06-11 US disclosed