SCHEMBL9541341

SCHEMBL9541341

CC(C)(C)c1ccc(O)cc1.CN(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
TYR P14679 1/20 0.61
ESR1 P03372 5/20 0.53
ESR2 Q92731 4/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2D6 P10635 1/20 0.46
APP P05067 2/20 0.46
SLC2A1 P11166 1/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ESRRG P62508 2/20 0.45
HPGD P15428 2/20 0.45
AR P10275 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
Phenol SCHEMBL875409 0.83 LMNA (0.80) LMNATYRESR1ESR2ALDH1A1
Phenol SCHEMBL28166105 0.83 LMNA (0.80) LMNATYRESR1ESR2ALDH1A1
Phenol SCHEMBL10884101 0.81 ALDH1A1 (0.62) LMNAESR1ALDH1A1RAB9AMEN1
Phenol SCHEMBL28257274 0.81 LMNA (0.75) LMNATYRESR1ESR2ALDH1A1
SCHEMBL26118268 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4RAB9AMEN1KMT2A
Biphenyl SCHEMBL7702949 0.79 LMNA (0.73) LMNATYRESR1ESR2ALDH1A1
SCHEMBL20520408 0.79 LMNA (0.73) LMNATYRESR1ESR2ALDH1A1
SCHEMBL15494 0.79 TSHR (0.61) LMNATYRALDH1A1CYP3A4MEN1
SCHEMBL19157 0.78 LMNA (1.00) LMNATYRESR1ESR2ALDH1A1
SCHEMBL3664594 0.78 LMNA (0.70) LMNATYRESR1ESR2ALDH1A1

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-1993013059-A1 STABILIZING COMPOSITION FOR S-SUBSTITUTED ALDEHYDES, PROCESS FOR STABILIZING ALDEHYDES AND STABILIZED ALDEHYDES RHODIA S/A. (BR) 1993-07-08 WO disclosed