SCHEMBL4751282

SCHEMBL4751282

[C-]#[N+][C@@H](CCC(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL11876330 0.76 METAP2 (0.46) L3MBTL1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL13890084 0.74 L3MBTL1 (0.56) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL6650291 0.74 L3MBTL1 (0.56) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL7752458 0.73 ALDH1A1 (0.39) KMT2AGAAMGAMSIMGAM2
SCHEMBL8100254 0.72 L3MBTL1 (0.55) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL5014725 0.72 L3MBTL1 (0.55) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL8434526 0.72 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL13572949 0.72 L3MBTL1 (0.55) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL12869633 0.72 ALDH1A1 (0.34) KMT2AGAAMGAMSIMGAM2
SCHEMBL6861005 0.71 L3MBTL1 (0.58) L3MBTL1KMT2APOLBCYP1A2GAA

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
WO-2008129188-A1 METHOD FOR THE DEPIGMENTATION OF KERATINOUS MATERIALS WITH THE HELP OF CARBAMATE COMPOUNDS OF VITAMIN C, AND USE OF SAID COMPOUNDS L'OREAL (FR) 2008-10-30 WO disclosed