SCHEMBL11686147

SCHEMBL11686147

CC(=O)NCCC(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
TET3 O43151 1/20 0.44
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
TSHR P16473 1/20 0.43
ADRA1A P35348 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FOLH1 Q04609 1/20 0.41
PAOX Q6QHF9 3/20 0.39
OR51E2 Q9H255 1/20 0.39
S1PR2 O95136 1/20 0.37
S1PR4 O95977 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
SCHEMBL11686140 1.00 MTNR1A (0.50) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL11664580 0.87 KDM4E (0.54) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL3350620 0.85 KDM4E (0.58) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL28351020 0.84 KDM4E (0.61) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL18125966 0.81 TET2 (0.48) MTNR1AMTNR1BTET2KDM4AKDM4C
SCHEMBL10533243 0.79 MTNR1A (0.52) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL12650483 0.78 MEN1 (0.52) MTNR1AMTNR1BTET2KDM4AKDM4C
SCHEMBL11687332 0.78 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL11687322 0.78 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL8000519 0.78

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
EP-4382529-A1 A PROCESS FOR PREPARING PURE (3S)-PYRROLIDIN-3-OL AND PURE (3S)-PYRROLIDIN-3-OL HYDROCHLORIDE Bayer Consumer Care AG (CH) 2024-06-12 EP disclosed
US-4062947-A Di-N-alkylaminoglycosides, methods for their manufacture and novel intermediates useful therein, method for their use as antibacterial agents and pharmaceutical compositions useful therefor SCHERING CORPORATION (US) 1977-12-13 US disclosed