SCHEMBL1618355

SCHEMBL1618355

O=C(O)C(O)(O)/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
HDAC1 Q13547 4/20 0.50
LMNA P02545 3/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
ALDH1A1 P00352 3/20 0.50
PLIN1 O60240 2/20 0.50
MAPT P10636 2/20 0.50
RECQL P46063 2/20 0.50
PLIN5 Q00G26 2/20 0.50
ABHD5 Q8WTS1 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
CYP1A2 P05177 2/20 0.50

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
SCHEMBL28655879 0.77 CYP2C19 (0.56) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL28748361 0.77 CYP2C19 (0.67) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL30583099 0.77 CYP2C19 (0.56) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL6067666 0.77 CYP2C19 (0.67) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL3340845 0.77 MAOB (0.50) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL18903348 0.77 MAOB (0.50) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL27549817 0.75 CYP2C19 (0.55) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL831183 0.75 CYP2C19 (0.55) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL21327076 0.75 CYP2C19 (0.50) CYP2C19HDAC1LMNAHDAC3HDAC4
SCHEMBL3906269 0.74 CYP2C19 (0.53) CYP2C19HDAC1LMNAHDAC3HDAC4

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-7923578-B2 Prevent sagging of skin; luster ; amidation of 3-(4-hydroxyphenyl)propionic acid with ammonia using 4-nitrophenol in ethyl acetateand dicyclohexylcarbodiimide; stirring ; precipitation dicyclohexylurea; filtration under vacuum INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2011-04-12 US disclosed
US-20080249334-A1 Method of Manufacturing 3-(4-Hydroxyphenyl)Propanoic Acid Amide, Its Application in the Manufacture of Anti-Aging Compositions and Anti-Aging Composition INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2008-10-09 US disclosed
EP-1971571-A2 A METHOD OF MANUFACTURING 3-(4-HYDROXYPHENYL)PROPANOIC ACID AMIDE, ITS APPLICATION IN THE MANUFACTURE OF ANTI-AGING COMPOSITIONS AND AN ANTI-AGING COMPOSITION Instytut Chemii Bioorganicznej PAN (PL) 2008-09-24 EP disclosed
WO-2007046721-A2 A METHOD OF MANUFACTURING 3-(4-HYDROXYPHENYL)PROPANOIC ACID AMIDE, ITS APPLICATION IN THE MANUFACTURE OF ANTI-AGING COMPOSITIONS AND AN ANTI-AGING COMPOSITION INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2007-04-26 WO disclosed