SCHEMBL13299366

SCHEMBL13299366

CC(C)CC1(C)CC(C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HTR2A P28223 2/20 0.35
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.33
CHRNA7 P36544 1/20 0.33
PGR P06401 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL30027759 0.72 ALDH1A1 (0.46) ALDH1A1MAPTHTR2AGAANPSR1
SCHEMBL29415514 0.72 ALDH1A1 (0.46) ALDH1A1MAPTHTR2AGAANPSR1
SCHEMBL2139658 0.72 ALDH1A1 (0.46) ALDH1A1MAPTHTR2AGAANPSR1
SCHEMBL15613866 0.72 TAAR1 (0.36) ALDH1A1MAPTHTR2ACHRNA7
SCHEMBL4582810 0.67 SIGMAR1 (0.47) ALDH1A1MAPTHTR2ANPSR1CHRNA7
SCHEMBL2993024 0.67 HTR2A (0.35) HTR2AKDM1AMEN1CYP3A4CYP2D6
SCHEMBL14524427 0.66 ALDH1A1 (0.40) ALDH1A1MAPTHTR2AGAANPSR1
SCHEMBL28302749 0.65 ALDH1A1 (0.39) ALDH1A1MAPTHTR2ANPSR1CHRNA7
SCHEMBL20175801 0.64 MEN1 (0.38) ALDH1A1MAPTHTR2AGAAMEN1
SCHEMBL11797794 0.64 ALDH1A1 (0.39) ALDH1A1MAPTKDM1ACHRNA7

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-2010063612-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2010-06-10 WO disclosed