SCHEMBL9569868

SCHEMBL9569868

CC(O)N(COc1ccc(S(=O)(=O)O)c(CN(C(C)O)C(C)O)c1)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.32
PDIA6 Q15084 1/20 0.32
SRD5A2 P31213 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCB1 P08183 1/20 0.30

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
SCHEMBL9569813 0.79 LMNA (0.42) MEN1KMT2A
SCHEMBL9569812 0.67 ALDH1A1 (0.45) PKM
SCHEMBL1607332 0.65 HSD17B10 (0.44)
SCHEMBL14991138 0.65 HSD17B10 (0.44)
SCHEMBL1803005 0.64 HSD17B10 (0.42) PKM
SCHEMBL1803007 0.64 HSD17B10 (0.42)
SCHEMBL14991422 0.63 MAPT (0.47) MEN1PKMKMT2A
SCHEMBL1804056 0.63 ADRA1A (0.44)
SCHEMBL1804050 0.63 HSD17B10 (0.41)
SCHEMBL1607777 0.63 CTDSP1 (0.43) CTDSP1PDIA6MEN1KMT2A

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