SCHEMBL2352097

SCHEMBL2352097

CCCCCCCCCCCCCCCCC(CC)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
MAPK1 P28482 1/20 0.59
CA1 P00915 1/20 0.50
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PPARG P37231 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.45
POLA1 P09884 1/20 0.45
PAM P19021 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
FFAR1 O14842 1/20 0.45

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
2-Ethylhexanoic Acid SCHEMBL28067045 0.97 CA2 (0.65) CA2MAPK1CA1GRIK1GRIK2
Methane SCHEMBL17704112 0.92 GRIK1 (0.50) CA2MAPK1GRIK1GRIK2MEN1
Methane SCHEMBL14817241 0.92 GRIK1 (0.50) CA2MAPK1GRIK1GRIK2MEN1
Methane SCHEMBL17704114 0.92 GRIK1 (0.50) CA2MAPK1GRIK1GRIK2MEN1
SCHEMBL5980014 0.90 CA2 (0.53) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL27567072 0.88 CA2 (0.55) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL28378474 0.88 CA2 (0.59) CA2MAPK1CA1MEN1KMT2A
SCHEMBL18000928 0.86 PAM (0.49) GRIK1GRIK2MEN1HPGDRECQL
SCHEMBL31231845 0.86 CA2 (0.58) CA2MAPK1CA1GRIK1GRIK2
Ethyl Tetradecanoate SCHEMBL29418166 0.86 CA2 (0.58) CA2MAPK1CA1GRIK1GRIK2

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
US-20110190186-A1 SKIN CLEANSING SYSTEM AND METHOD UNIVERSITY OF NEW BRUNSWICK (CA) 2011-08-04 US claimed
US-20110190186-A1 SKIN CLEANSING SYSTEM AND METHOD UNIVERSITY OF NEW BRUNSWICK (CA) 2011-08-04 US disclosed