SCHEMBL11090576

SCHEMBL11090576

C1=CC1.CC(C)(c1ccccc1OCC1CO1)c1ccccc1OCC1CO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
GLA P06280 1/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 4/20 0.49
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 2/20 0.49
PPARG P37231 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL2905738 0.95 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL11422531 0.87 MEN1 (0.65) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL30033688 0.86 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL8695675 0.86 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL241150 0.86 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL8695311 0.86 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL80170 0.86 ALDH1A1 (0.65) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL28509190 0.83 ALDH1A1 (0.49) ALDH1A1GLAMEN1KMT2ATSHR
Methacrylic Acid SCHEMBL7198324 0.83 ALDH1A1 (0.50) ALDH1A1GLAMEN1KMT2ATSHR
SCHEMBL8159336 0.82 ALDH1A1 (0.64) ALDH1A1GLAMEN1KMT2ATSHR

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
US-4435497-A Carboxyl-containing compositions and their polymerization CIBA-GEIGY CORPORATION (US) 1984-03-06 US disclosed