SCHEMBL3715093

SCHEMBL3715093

COC(=O)c1ccc(CC(C)O)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HCAR3 P49019 1/20 0.40

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
SCHEMBL31435350 0.89 MAPK1 (0.56) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL9446824 0.86 MAPK1 (0.53) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL28396260 0.82 HCAR3 (0.50) MAPTALDH1A1HCAR3
SCHEMBL3715299 0.81 HCAR3 (0.49) MAPTALDH1A1HCAR3
SCHEMBL204895 0.80 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL1441132 0.80 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL29695095 0.80 MAPK1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL1439028 0.79 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL480126 0.79 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL198840 0.79 MAPK1 (0.59) MAPK1KDM4EL3MBTL1MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391617-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-12-07 EP disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO disclosed