SCHEMBL8733148

SCHEMBL8733148

CC(CC=O)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAOA P21397 1/20 0.49
PTGS1 P23219 1/20 0.49
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
FFAR1 O14842 1/20 0.44
CYP2D6 P10635 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
SCN4A P35499 2/20 0.43
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10714708 0.82 KMT2A (0.42) LMNAFFAR1NPC1MAPK1
SCHEMBL13385106 0.82 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL27956310 0.80 LMNA (0.34) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL5251046 0.80 LMNA (0.52) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL96350 0.79 LMNA (0.59) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL96547 0.77 LMNA (0.57) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL8651047 0.76 LMNA (0.52) LMNAMTNR1AMTNR1BCYP2D6ADRB2
SCHEMBL2500159 0.76 FFAR1 (0.61) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL28294103 0.76 FFAR1 (0.61) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL2790730 0.76 LMNA (0.55) LMNAMAOAPTGS1MTNR1AMTNR1B

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
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed
EP-0155973-B1 HYDROCARBYLOXY ALKANALS, ORGANOLEPTIC USES THEREOF AND PROCESSORS FOR PREPARING SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-12-14 EP disclosed
US-4556746-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-12-03 US disclosed