SCHEMBL3128804

SCHEMBL3128804

C=CCCCCCCCCOC(=O)/C=C(\C)c1ccc(N(CC)CC)cc1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 7/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
MAOB P27338 5/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.34
FGFR1 P11362 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3128820 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1APP
SCHEMBL3128813 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1APP
SCHEMBL3134661 0.82 MAPT (0.49) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL3134656 0.82 MAPT (0.49) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL31512479 0.75 L3MBTL1 (0.60) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL3363287 0.74 MEN1 (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL3125942 0.73 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1APP
SCHEMBL3131528 0.73 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1APP
SCHEMBL3125934 0.73 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1APP
SCHEMBL29235063 0.73 TSHR (0.55) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E

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
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 EP claimed
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 EP disclosed
US-6096918-A USEFUL FOR THE DELIVERY OF ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES, MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS. THEY CAN ALSO DELIVER FLUORESCENT WHITENING AGENTS. GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-08-01 US disclosed
EP-0936211-A2 Aryl-acrylic acid esters useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 1999-08-18 EP disclosed