SCHEMBL1279658

SCHEMBL1279658

O=C(OCc1ccccc1)ON1C(=O)CCC1=O.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL142445 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL11323517 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
Carbamic Acid SCHEMBL28871401 0.94 CYP2C19 (0.44) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL6363978 0.91 CCNE1 (0.42) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL5469498 0.88 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL9942943 0.88 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL15999210 0.86 NOTUM (0.51) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL406279 0.85 KMT2A (0.41) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL5963233 0.85 CA2 (0.43) ALDH1A1L3MBTL1KMT2AMAPK1CCNE1
SCHEMBL19763139 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2

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
US-10026962-B2 Alginate-containing compositions for use in battery applications GEORGIA TECH RESEARCH CORPORATION (US) 2018-07-17 US disclosed
US-20140193712-A1 ALGINATE-CONTAINING COMPOSITIONS FOR USE IN BATTERY APPLICATIONS GEORGIA TECH RESEARCH CORPORATION (US) 2014-07-10 US disclosed
US-8652688-B2 Alginate-containing compositions for use in battery applications CLEMSON UNIVERSITY (US) 2014-02-18 US disclosed
US-20120088155-A1 ALGINATE-CONTAINING COMPOSITIONS FOR USE IN BATTERY APPLICATIONS CLEMSON UNIVERSITY RESEARCH FOUNDATION 2012-04-12 US disclosed