SCHEMBL10925844

SCHEMBL10925844

CC(C)(C)OC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2Cl)c1-c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 6/20 0.37
MAPT P10636 6/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL10925847 1.00 XPO1 (0.38) XPO1NPC1RAB9ALMNAMAPT
SCHEMBL10924250 0.87 MAPT (0.39) NPC1RAB9ALMNAMAPTKMT2A
SCHEMBL10924252 0.87 MAPT (0.39) NPC1RAB9ALMNAMAPTKMT2A
SCHEMBL9825707 0.74 LMNA (0.40) XPO1NPC1RAB9ALMNAMAPT
SCHEMBL9825713 0.74 LMNA (0.40) XPO1NPC1RAB9ALMNAMAPT
SCHEMBL1219446 0.73 MAPT (0.54) NPC1RAB9ALMNAMAPTKMT2A
SCHEMBL24738013 0.69 XPO1 (0.42) XPO1NPC1RAB9ALMNAMAPT
SCHEMBL29137038 0.69 XPO1 (0.42) XPO1NPC1RAB9ALMNAMAPT
SCHEMBL3631532 0.67 RAB9A (0.50) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL8541449 0.66 CCNC (0.48) NPC1RAB9ALMNAMAPTKMT2A

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
EP-0195414-A2 2-Azolylpropionate derivatives and fungicides containing the same SDS Biotech K.K. (JP) 1986-09-24 EP disclosed