SCHEMBL5070722

SCHEMBL5070722

COc1ccc(/C(=C\C=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
MAPT P10636 7/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
ESR2 Q92731 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
CYP1A2 P05177 3/20 0.49
SLC2A1 P11166 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46

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
SCHEMBL5070723 1.00 MAOB (0.55) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8994723 0.88 ALDH1A1 (0.54) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL8564034 0.88 ALDH1A1 (0.57) MAPTALDH1A1HPGDKDM4ECES2
SCHEMBL9312644 0.84 MAOB (0.51) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9312643 0.84 MAOB (0.51) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10683405 0.84 MAOB (0.51) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7529618 0.83 MAPT (0.47) MAOBMAPTSMN1; SMN2GAAMEN1
SCHEMBL7529613 0.83 MAPT (0.47) MAOBMAPTSMN1; SMN2GAAMEN1
SCHEMBL10473229 0.83 MAOB (0.56) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10473228 0.83 MAOB (0.56) MAOBMAPTNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008169127-A METHOD FOR PRODUCING NAPHTHOPYRAN COMPOUND TOKUYAMA CORP 2008-07-24 JP disclosed