SCHEMBL4868531

SCHEMBL4868531

CCCCCCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.51
CSNK1E P49674 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TYR P14679 2/20 0.49
SIRT2 Q8IXJ6 2/20 0.48
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7890503 1.00 CETP (0.51) CETPCSNK1EALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL21373254 0.99 CETP (0.50) CETPCSNK1EALDH1A1CYP3A4TSHR
SCHEMBL10026046 0.98 ALDH1A1 (0.51) CETPCSNK1EALDH1A1CYP3A4TSHR
SCHEMBL17694105 0.98 ALDH1A1 (0.51) CETPCSNK1EALDH1A1CYP3A4TSHR
SCHEMBL7266217 0.94 ALDH1A1 (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8003648 0.94 ALDH1A1 (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7266221 0.94 ALDH1A1 (0.52) CETPALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL7279052 0.93 ALDH1A1 (0.51) CETPALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL7279046 0.93 ALDH1A1 (0.51) CETPALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27726783 0.89 CETP (0.47) CETPCSNK1EALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104981455-B Dendritic core compounds 维多利亚林克有限公司 2019-04-19 CN disclosed
US-7468460-B2 Reacting benzhydroxamic acid with benzyl alcohol and 2,4,6- substituted 1,3,5,2,4,6-trioxatriphosphinane in presence of triethylamine to produce benzyloxycarbonylaniline ARCHIMICA GMBH (DE) 2008-12-23 US disclosed