SCHEMBL11423976

SCHEMBL11423976

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 6/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31

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
SCHEMBL10524115 0.92 ACHE (0.40) GAACYP4F2CYP4A11ACHETSHR
SCHEMBL9189507 0.88 TSHR (0.31) ACHETSHR
SCHEMBL11707688 0.86 ALDH1A1 (0.34) TSHR
SCHEMBL613973 0.84 TSHR (0.38) ACHETSHR
SCHEMBL31235682 0.82 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL31235699 0.82 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL31235593 0.82 MEN1 (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11011933 0.82 TSHR (0.39) ACHETSHRMAPK1
Ethylene Glycol SCHEMBL11432012 0.80 TSHR (0.33) TSHR
SCHEMBL3982038 0.77

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
US-4218515-A FOR FLOOR COVERINGS HECKLES JOHN S 1980-08-19 US disclosed