SCHEMBL9178594

SCHEMBL9178594

CC(C)C1(O)C=CC=CC1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 2/20 0.33
TRPA1 O75762 1/20 0.33
GSK3B P49841 1/20 0.33
HIF1A Q16665 1/20 0.33
HBB P68871 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL28014454 0.80 NPC1 (0.42) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1828048 0.79 L3MBTL1 (0.41) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8917869 0.79 NPC1 (0.40) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6938598 0.76 L3MBTL1 (0.39) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29091452 0.76 NPC1 (0.40) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2805922 0.76 NPC1 (0.40) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7851780 0.76 L3MBTL1 (0.41) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29067489 0.75 NPC1 (0.41) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4621722 0.74 NPC1 (0.40) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10959754 0.74 NPC1 (0.40) L3MBTL1NPC1MAPTSMN1; SMN2ALDH1A1

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
JP-7097496-A None JP disclosed
JP-H0797496-A VINYL CHLORIDE RESIN COMPOSITION FOR VEHICLE EXTERIOR CHISSO CORP 1995-04-11 JP disclosed