SCHEMBL11076016

SCHEMBL11076016

Cc1cc(OCC=CC(=O)Nc2ccccc2)c(Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.43
MAPT P10636 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 3/20 0.41
GALR3 O60755 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
STAT1 P42224 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 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
SCHEMBL11076010 1.00 CTSD (0.43) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11072093 0.91 NPC1 (0.44) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11072099 0.91 NPC1 (0.44) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11075971 0.86 NPC1 (0.44) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11075978 0.86 NPC1 (0.44) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11084985 0.83 KDM1A (0.42) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11084987 0.83 KDM1A (0.42) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11086912 0.82 MAPT (0.42) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11086904 0.82 MAPT (0.42) CTSDMAPTNPC1RAB9AMAOB
SCHEMBL11074898 0.81 NOTUM (0.61) MAPTNPC1RAB9AHTTALDH1A1

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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed