SCHEMBL2878498

SCHEMBL2878498

CC(=O)NCC(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.42
MTNR1B P49286 8/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ADRA1A P35348 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7082573 0.79 OR51E2 (0.42) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL468822 0.79 MTNR1A (0.44) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL8599982 0.77 RNPEP (0.44) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL542281 0.77 GFPT1 (0.52)
SCHEMBL542282 0.77 GFPT1 (0.52)
SCHEMBL25345631 0.77 GFPT1 (0.52)
SCHEMBL23451094 0.75 MAPT (0.59) MTNR1AMTNR1BKDM4EMAPTTHRB
SCHEMBL26008141 0.75 MAPT (0.43) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL25356963 0.75 MAPT (0.43) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL26490723 0.75 MAPK1 (0.45) MTNR1AMTNR1BKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160040059-A1 Subterranean Reservoir Treatment Method SCHLUMBERGER TECHNOLOGY CORP (US) 2016-02-11 US disclosed
US-20160040059-A1 Subterranean Reservoir Treatment Method SCHLUMBERGER TECHNOLOGY CORP (US) 2016-02-11 US disclosed
US-20130048283-A1 Subterranean Reservoir Treatment Method SCHLUMBERGER TECHNOLOGY CORPORATION 2013-02-28 US disclosed
EP-2002836-B1 Cyclocondensed azaindoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2010-10-20 EP disclosed
EP-2002836-A1 Cyclocondensed azaindoles active as kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed