SCHEMBL8975112

SCHEMBL8975112

CC(=O)N(CC(O)C(=O)c1ccccc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
LMNA P02545 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.42
MDM2 Q00987 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41

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
SCHEMBL11306681 0.81 NPC1 (0.64) MAPK1NPC1RAB9AATMMAPT
Hydrochloric Acid SCHEMBL11275834 0.80 HTT (0.67) MAPK1NPC1RAB9AATMMAPT
SCHEMBL11680209 0.77 RAB9A (0.50) MAPK1NPC1RAB9AATMMAPT
SCHEMBL7617770 0.76 CES1 (0.48) MAPK1NPC1RAB9AATMMAPT
SCHEMBL1822406 0.75 PGR (0.53) MAPK1NPC1RAB9AATMMAPT
SCHEMBL289556 0.75 PGR (0.53) MAPK1NPC1RAB9AATMMAPT
SCHEMBL3319972 0.75 CES1 (0.52) MAPK1NPC1RAB9AATMMAPT
SCHEMBL3319973 0.75 CES1 (0.52) MAPK1NPC1RAB9AATMMAPT
SCHEMBL3323928 0.75 CES1 (0.52) MAPK1NPC1RAB9AATMMAPT
SCHEMBL11674390 0.75 PGR (0.50) MAPK1NPC1RAB9AATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045222-A Liquid detergent formulations HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-03 US claimed
EP-0373546-B1 Use of triacylated ethanolamines as liquid water miscible peroxyde activators HOECHST AG (DE) 1996-04-10 EP disclosed
US-5045222-A Liquid detergent formulations HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0373546-A2 Use of triacylated ethanolamines as liquid water miscible peroxyde activators HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed