SCHEMBL9569813

SCHEMBL9569813

CC(O)N(Cc1cc(O)ccc1S(=O)(=O)O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
HIF1A Q16665 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGFR P00533 1/20 0.40
TYR P14679 2/20 0.35
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
APEX1 P27695 1/20 0.32
ESR1 P03372 1/20 0.32
MAOA P21397 1/20 0.32
UGT1A1 P22309 1/20 0.32
MAOB P27338 1/20 0.32
ESR2 Q92731 1/20 0.32
NSD2 O96028 1/20 0.31
MMP14 P50281 1/20 0.31
CASP6 P55212 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL9569868 0.79 CTDSP1 (0.32) MEN1KMT2A
SCHEMBL29389835 0.76 EGFR (0.49) LMNAHIF1AHPGDHSD17B10EGFR
SCHEMBL9569812 0.75 ALDH1A1 (0.45) LMNAHPGDHSD17B10NSD2KDM4E
SCHEMBL11117927 0.75 TYR (0.56) TYRMEN1KMT2A
SCHEMBL9569846 0.74 EGFR (0.42) LMNAHIF1AHPGDHSD17B10EGFR
SCHEMBL25386393 0.71 TYR (0.54) LMNAHIF1AHPGDHSD17B10EGFR
SCHEMBL23559475 0.71 LMNA (0.41) LMNAHIF1AHPGDHSD17B10EGFR
SCHEMBL7189931 0.69 CA2 (0.44) LMNAHIF1AHPGDHSD17B10EGFR
SCHEMBL25474479 0.68 HDAC1 (0.37) HIF1ATYRESR1MAOAUGT1A1
SCHEMBL5664509 0.67 LMNA (0.53) LMNAHIF1AHPGDHSD17B10EGFR

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-0524019-A1 Hydraulic cement mixtures containing (dialkanol)aminoalkylphenols W.R. Grace & Co.-Conn. (US) 1993-01-20 EP disclosed
US-5102467-A Adding a (dialkanol)aminomethyl phenol to enhance setting strength W.R. GRACE & CO.-CONN. (US) 1992-04-07 US disclosed