SCHEMBL20182409

SCHEMBL20182409

O=Cc1ccc(Cl)cc1OCCCC(=O)I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NLRP1 Q9C000 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP3A4 P08684 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
SCHEMBL20182410 0.86 MAPT (0.48) MAPTTP53KDM4EALOX15HPGD
SCHEMBL7927301 0.83 ALDH1A1 (0.57) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL20168837 0.80 MAPT (0.49) MAPTTP53KDM4EALOX15HPGD
SCHEMBL18570397 0.78 APP (0.49) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL22090726 0.76 ALDH1A1 (0.45) MAPTKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL4232553 0.76 PTGDR2 (0.61) MAPTTSHRTDP1PTGDR2
SCHEMBL30933896 0.76 ALDH1A1 (0.49) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL20798229 0.74 MAPT (0.74) MAPTTP53KDM4EALOX15HPGD
SCHEMBL3329518 0.73 HPGD (0.51) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL28916081 0.73 SMN1; SMN2 (0.44) MAPTTP53KDM4EALOX15HPGD

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
WO-2018093949-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed