SCHEMBL11095417

SCHEMBL11095417

O=C(O)C=CC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
ALDH1A1 P00352 2/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 2/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
GAA P10253 1/20 0.62
MAOA P21397 2/20 0.61
MAOB P27338 1/20 0.61
ATM Q13315 2/20 0.59
GPR55 Q9Y2T6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SRD5A2 P31213 1/20 0.57
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.55

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
SCHEMBL11095416 1.00 MAPT (0.68) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL31322028 1.00 MAPT (0.68) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL28340400 0.85 MAPT (0.62) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL14601553 0.81 ALDH1A1 (0.63) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL15404139 0.81 MAPT (1.00) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7997434 0.81 MAPT (1.00) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL10057828 0.81 ALDH1A1 (0.66) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL7075198 0.81 ALDH1A1 (0.65) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL19243173 0.81 ALDH1A1 (0.65) MAPTNPC1RAB9AALDH1A1MAPK1
SCHEMBL108665 0.81 MAPT (0.79) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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
US-4483868-A ANTIULCER AGENTS ANTISECRETORY AGENTS ROUSSEL UCLAF (FR) 1984-11-20 US claimed
US-4483868-A ANTIULCER AGENTS ANTISECRETORY AGENTS ROUSSEL UCLAF (FR) 1984-11-20 US disclosed