SCHEMBL8733440

SCHEMBL8733440

CC(CC=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
LMNA P02545 2/20 0.38
ALDH1A3 P47895 1/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
MAPT P10636 1/20 0.37
LTA4H P09960 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1454571 0.82 MTNR1A (0.47) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL4633428 0.80 MTNR1A (0.46) MTNR1AMTNR1BLMNACYP2C19CHRNB4
SCHEMBL11516903 0.80 MTNR1A (0.46) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL9550319 0.79 MTNR1A (0.37) MTNR1AMTNR1BLMNAGAALTA4H
SCHEMBL2853850 0.78 MTNR1A (0.45) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL7037368 0.77 MTNR1A (0.47) MTNR1AMTNR1BLMNAALDH1A3GAA
SCHEMBL27470070 0.77 MTNR1A (0.47) MTNR1AMTNR1BGAAMAPTLTA4H
Formic Acid SCHEMBL27695490 0.77 MTNR1A (0.51) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL27526890 0.77 MTNR1A (0.44) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL16254957 0.77 MTNR1A (0.55) MTNR1AMTNR1BLMNAGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed
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
US-4128728-A Production of 2,3,6-trimethylphenol BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed