SCHEMBL7563918

SCHEMBL7563918

CC(C)C/C=C(/C#N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.42
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
CISD1 Q9NZ45 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
GPR35 Q9HC97 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL15606 1.00 GRIK1 (0.42) GRIK1KDM4ELMNAATMSLC16A3
SCHEMBL15607 1.00 GRIK1 (0.42) GRIK1KDM4ELMNAATMSLC16A3
SCHEMBL13993014 0.83 GRIK1 (0.34) GRIK1KDM4ELMNAATMALDH1A1
SCHEMBL31613436 0.82 KDM4E (0.34) KDM4ELMNAATMSLC16A3SLC16A1
SCHEMBL28312635 0.82 EGFR (0.41) GRIK1KDM4ELMNAALDH1A1HPGD
SCHEMBL716222 0.81 KDM4E (0.36) KDM4ELMNAATMSLC16A3SLC16A1
Bucrylate SCHEMBL2789800 0.81 ALDH1A1 (0.44) GRIK1KDM4ELMNAATMSLC16A3
SCHEMBL451000 0.80 KDM4E (0.43) KDM4ELMNAATMSLC16A3SLC16A1
SCHEMBL27365320 0.80 GRIK1 (0.33) GRIK1
SCHEMBL9805814 0.80 CISD1 (0.33) KDM4ESLC16A3SLC16A1CISD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002072535-A1 MODIFIED CYANACRYLATE ESTERS, NANOCAPSULES OR MICROCAPSULES PRODUCED THEREFROM AND THEIR USE IN WASHING AND CLEANING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-09-19 WO disclosed