SCHEMBL11244303

SCHEMBL11244303

CCC(C(=O)[SeH])N1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
SLC1A2 P43004 2/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 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
SCHEMBL698898 0.82 ALDH1A1 (0.56) LMNACA12CA1CA2CA3
Ethylene Glycol SCHEMBL5092855 0.77 ALDH1A1 (0.51) LMNACA12CA1CA2CA3
SCHEMBL15511368 0.77 CA1 (0.41) LMNACA12CA1CA2CA3
SCHEMBL11244305 0.76 ALDH1A1 (0.42) LMNACA12CA1CA2CA3
SCHEMBL2128266 0.74 LMNA (0.39) LMNACA12CA1CA2CA3
SCHEMBL2813031 0.74 ALDH1A1 (0.53) LMNACA12CA1CA2CA3
SCHEMBL13441949 0.74 LMNA (0.39) LMNACA12CA1CA2CA3
SCHEMBL12100863 0.71 ALDH1A1 (0.53) LMNACA12CA1CA2CA3
Propionic Acid SCHEMBL7866660 0.68 ALDH1A1 (0.50) LMNACA12CA1CA2CA3
SCHEMBL29001922 0.68 ALDH1A1 (0.50) CA2ALDH1A1PKMSLC1A2

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-4341757-A FLUORIMETRY, ATOMIC ADSORPTION NUTRITION 21 (US) 1982-07-27 US disclosed