SCHEMBL8727657

SCHEMBL8727657

[CH]/C=C/CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
MAOA P21397 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
AOC3 Q16853 1/20 0.44
MAOB P27338 3/20 0.43
HTR2A P28223 1/20 0.43
IDO1 P14902 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL8727659 1.00 SIGMAR1 (0.45) SIGMAR1MAOATRPV1AOC3MAOB
SCHEMBL8733065 0.86 GPR52 (0.50) MAOBHTR2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8733062 0.86 GPR52 (0.50) MAOBHTR2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1225568 0.78 SIGMAR1 (0.50) SIGMAR1MAOATRPV1HDAC3MAPK1
SCHEMBL6014620 0.78 MAOA (0.50) SIGMAR1MAOAAOC3MAOBHTR2A
SCHEMBL4785068 0.78 MAOA (0.50) SIGMAR1MAOAAOC3MAOBHTR2A
SCHEMBL2243799 0.78 HDAC3 (0.47) SIGMAR1MAOATRPV1MAOBHTR2A
SCHEMBL6200426 0.78 SIGMAR1 (0.45) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL6200429 0.78 SIGMAR1 (0.45) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL9399999 0.78 HDAC3 (0.47) SIGMAR1MAOATRPV1MAOBHTR2A

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 3 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