SCHEMBL11528609

SCHEMBL11528609

COc1ccc(NC(C)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
GAA P10253 6/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 3/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HTT P42858 2/20 0.47
KCNH3 Q9ULD8 2/20 0.47

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
SCHEMBL13302706 0.83 ALDH1A1 (0.53) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL10771680 0.83 ALDH1A1 (0.56) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL3141547 0.82 ALDH1A1 (0.60) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL633443 0.82 ALDH1A1 (0.60) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL31092472 0.79 ALDH1A1 (0.53) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL11531184 0.79 EPHX2 (0.45) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL20131116 0.78 ALDH1A1 (0.56) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL28615334 0.78 ALDH1A1 (0.56) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL20987124 0.78 ALDH1A1 (0.56) ALDH1A1GAARAB9AMAPTL3MBTL1
SCHEMBL11534513 0.78 EPHX2 (0.44) ALDH1A1RAB9AL3MBTL1NPC1

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-4161474-A STABILIZERS, ANTIOZONANTS FOR VULCANIZABLE DIENE RUBBERS MONSANTO COMPANY (US) 1979-07-17 US disclosed