SCHEMBL7721987

SCHEMBL7721987

CC(CC1CO1)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.34
CHRM2 P08172 5/20 0.33
CHRM4 P08173 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 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
SCHEMBL2266770 0.77 ALDH1A1 (0.44) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL17437817 0.76 MEN1 (0.46) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL3106376 0.76 TSHR (0.56) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL8419296 0.75 TSHR (0.36) TSHRALDH1A1TDP1CHRM2CHRM4
SCHEMBL3967693 0.73 ALDH1A1 (0.62) TSHRALDH1A1TDP1TP53MAPT
Propylene Oxide SCHEMBL27795211 0.73 ALDH1A1 (0.52) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL7720023 0.73 ALDH1A1 (0.52) TSHRALDH1A1TDP1HTR2AHTR2C
SCHEMBL10719466 0.72 TSHR (0.40) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL452064 0.71 ESR2 (0.43) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL29381738 0.71 TSHR (0.60) TSHRALDH1A1TDP1TP53MAPT

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
EP-1171526-A1 ADHESION PROMOTER FOR A SILICONE COMPOSITION RHODIA CHIMIE (FR) 2002-01-16 EP disclosed
WO-2000060010-A1 ADHESION PROMOTER FOR A SILICONE COMPOSITION RHODIA CHIMIE (FR) 2000-10-12 WO disclosed