SCHEMBL3134656

SCHEMBL3134656

CCOC(=O)/C=C(/C)c1ccc(N(CC)CC)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 9/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 3/20 0.40
BLM P54132 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3134661 1.00 MAPT (0.49) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3363287 0.83 MEN1 (0.57) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3128820 0.82 SMN1; SMN2 (0.41) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3128804 0.82 SMN1; SMN2 (0.41) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL27865509 0.80 CA12 (0.64) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL18380895 0.79 MAPT (0.47) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL27567617 0.78 MEN1 (0.52) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL27503707 0.78 MEN1 (0.52) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3125942 0.78 SMN1; SMN2 (0.44) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL3131528 0.78 SMN1; SMN2 (0.44) MAPTKDM4ESMN1; SMN2LMNAKMT2A

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
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