SCHEMBL15326796

SCHEMBL15326796

CC(NC1CCCC(N)C1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP2 P08253 2/20 0.35
CA9 Q16790 2/20 0.35
ATM Q13315 1/20 0.34
KDM1A O60341 1/20 0.34
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
OPRK1 P41145 1/20 0.31
PIM1 P11309 1/20 0.31
EPHX1 P07099 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13337018 0.82 KDM1A (0.39) ATMKDM1APIM1GAAL3MBTL1
SCHEMBL13337016 0.82 KDM1A (0.39) ATMKDM1APIM1GAAL3MBTL1
SCHEMBL14208467 0.82 KDM1A (0.39) ATMKDM1APIM1GAAL3MBTL1
SCHEMBL26250228 0.82 CA12 (0.42) CA12CA1CA2MMP2CA9
SCHEMBL23692025 0.80 CA12 (0.44) CA12CA1CA2MMP2CA9
SCHEMBL13897007 0.80 CA12 (0.44) CA12CA1CA2MMP2CA9
SCHEMBL26277264 0.80 CA12 (0.44) CA12CA1CA2MMP2CA9
SCHEMBL17656918 0.78 CA12 (0.42) CA12CA1CA2MMP2CA9
SCHEMBL21799493 0.77 KDM1A (0.36) KDM1APIM1
SCHEMBL21453026 0.77 KDM1A (0.39) ATMKDM1APIM1

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-2013153407-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 WO disclosed