SCHEMBL11313871

SCHEMBL11313871

CC(C(=O)O)N1CCCC1=O.CCC(C)Sc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ACE P12821 1/20 0.37
HTT P42858 1/20 0.36
PSMD14 O00487 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33

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
SCHEMBL7063128 0.80 LMNA (0.42) LMNACA12CA1CA2CA3
Butane SCHEMBL11313859 0.80 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL7062761 0.78 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL951298 0.75 LMNA (0.51) LMNACA12CA1CA2CA3
SCHEMBL10959845 0.75 LMNA (0.51) LMNACA12CA1CA2CA3
SCHEMBL11309197 0.72 MAPK1 (0.42) HTTPSMD14L3MBTL1MAPK1KMT2A
SCHEMBL3728882 0.71 LMNA (0.46) LMNACA12CA1CA2CA3
SCHEMBL7062342 0.71 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL7514608 0.71 PIM1 (0.38) LMNACA12CA1CA2CA3
SCHEMBL11187859 0.70 LMNA (0.45) LMNACA12CA1CA2CA3

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-4341790-A CEREBRAL CIRCULATORY, ATROPHY, AND AGING A. NATTERMANN & CIE. GMBH (DE) 1982-07-27 US disclosed