SCHEMBL7533650

SCHEMBL7533650

Cc1[c]c(-c2ccccc2)c(C)c(C)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
AKT2 P31751 3/20 0.34
BRD4 O60885 2/20 0.34
CHEK1 O14757 1/20 0.34
BRD2 P25440 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TDO2 P48775 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA2A P29274 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDGFRA P16234 1/20 0.31
MAPK8 P45983 1/20 0.31
CDK5 Q00535 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL8481612 0.83 MAPT (0.35) MAPTHTTLMNAAKT2BRD4
SCHEMBL1629378 0.83 MAPT (0.37) MAPTHTTLMNAAKT2BRD4
SCHEMBL9453784 0.82 MAPT (0.40) MAPTHTTLMNAAKT2BRD4
SCHEMBL12815787 0.81 MAPT (0.36) MAPTHTTLMNAAKT2BRD4
SCHEMBL12815928 0.79 MAPT (0.35) MAPTHTTLMNAAKT2BRD4
SCHEMBL6816552 0.77 PTGS2 (0.40) MAPTLMNAPTGS2KMT2AALDH1A1
SCHEMBL8480648 0.76 PDE4B (0.44) MAPTLMNAALDH1A1PDE4APDE4B
SCHEMBL9092306 0.75 NPC1 (0.42) MAPTLMNAKMT2AALDH1A1ACHE
SCHEMBL9701635 0.74 LMNA (0.50) MAPTHTTLMNAAKT2BRD4
SCHEMBL8480278 0.73 ACHE (0.38) MAPTHTTLMNAAKT2BRD4

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
WO-2002020448-A1 PROCESS FOR THE HYDROFORMYLATION OF ALKENES DYNEA CHEMICALS OY (FI) 2002-03-14 WO claimed
WO-2002020448-A1 PROCESS FOR THE HYDROFORMYLATION OF ALKENES DYNEA CHEMICALS OY (FI) 2002-03-14 WO disclosed