SCHEMBL11060432

SCHEMBL11060432

N#CCCOC(=O)/C=C\C(=O)OCCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 6/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TSHR P16473 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CASP1 P29466 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL27638616 0.90 HCAR2 (0.53) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL9019355 0.89 ATM (0.38) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL8646547 0.87 ATM (0.41) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL8646553 0.87 ATM (0.41) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL3518897 0.85 HCAR2 (0.48) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL10864388 0.84 MEN1 (0.41) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL7511227 0.82 ATM (0.37) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL28387344 0.82 CASP1 (0.37) ATMHCAR2MEN1KMT2AMAPT
SCHEMBL28873781 0.82 ATM (0.33) ATMHCAR2MEN1KMT2AALDH1A1
SCHEMBL8944320 0.82

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-4474915-A Modified vinyl acetate adhesive compositions containing low temperature fusion aids NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1984-10-02 US disclosed