SCHEMBL10337447

SCHEMBL10337447

CCOC(=O)CC[C@H](NC(=O)C=CC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
KMT2A Q03164 5/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.43
AKT1 P31749 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 3/20 0.41
NOD2 Q9HC29 2/20 0.41
BCHE P06276 2/20 0.39

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
SCHEMBL10337445 1.00 L3MBTL1 (0.52) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9416430 0.88 RAB9A (0.45) KMT2AALDH1A1HPGDRAB9AMEN1
SCHEMBL9416390 0.88 RAB9A (0.45) KMT2AALDH1A1HPGDRAB9AMEN1
SCHEMBL31389130 0.85 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL25497370 0.85 L3MBTL1 (0.55) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL3706987 0.82 L3MBTL1 (0.61) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6313152 0.82 L3MBTL1 (0.61) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL10620390 0.80 RAB9A (0.49) KMT2AALDH1A1RAB9AMEN1MAPK1
SCHEMBL10618508 0.78 PPARA (0.51) KMT2ARAB9AMEN1MAPK1MAPT
SCHEMBL25498168 0.77 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1

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-4923888-A ANTIULCER AGENTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1990-05-08 US disclosed