SCHEMBL11519376

SCHEMBL11519376

CC(O)CN(CC(C)O)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
SMPD2 O60906 1/20 0.33
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
BLM P54132 1/20 0.31
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC7A5 Q01650 1/20 0.31
OR51E2 Q9H255 1/20 0.31

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
SCHEMBL6010347 0.79 OR51E2 (0.37) TP53SMPD2OR51E2
SCHEMBL6010362 0.79 OR51E2 (0.37) TP53SMPD2OR51E2
SCHEMBL28244250 0.78 TP53 (0.39) TP53BLMGABRR1RNPEPCYP1A2
SCHEMBL304130 0.74 HTR2A (0.52) TP53SMPD2PGRADRA2AADRA2B
SCHEMBL10207211 0.74 HTR2A (0.52) TP53SMPD2PGRADRA2AADRA2B
SCHEMBL172237 0.74 HTR2A (0.52) TP53SMPD2PGRADRA2AADRA2B
SCHEMBL20312073 0.73 SMPD2 (0.41) TP53SMPD2PGRADRA2AADRA2B
SCHEMBL24711911 0.73 ENPEP (0.35) TP53BLMRNPEP
SCHEMBL22667826 0.73 TP53 (0.35) TP53CYP1A2
SCHEMBL27937766 0.73 TP53 (0.35) TP53

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-4143159-A SKIN-CARE AGENTS CONTAINING HYDROXYALKYL CARBOXAMIDES AND PROCESS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-03-06 US claimed