SCHEMBL7044403

SCHEMBL7044403

CC(O)C(NC(C)C(O)c1ccccc1)Oc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.40
MCL1 Q07820 1/20 0.40
GFER P55789 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
METAP2 P50579 1/20 0.40
KDM4E B2RXH2 2/20 0.39
STAT3 P40763 1/20 0.39
USP2 O75604 1/20 0.39
USP8 P40818 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD17B2 P37059 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
SCHEMBL7042718 0.84 GAA (0.46) MEN1KMT2AGAAGFERAPOBEC3G
SCHEMBL7041271 0.83 MAPT (0.49) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL7251589 0.77 STING1 (0.41) STING1MEN1KMT2AGAAGFER
SCHEMBL7036947 0.75 ADRB3 (0.49)
SCHEMBL7611182 0.74 GAA (0.44) MEN1KMT2AGAAGFERAPOBEC3G
SCHEMBL7608479 0.73 ADRB3 (0.48) MEN1KMT2AGAAGFERAPOBEC3G
SCHEMBL7042491 0.73 GAA (0.41) MEN1KMT2AGAAGFERAPOBEC3G
SCHEMBL7610449 0.72 GAA (0.42) MEN1KMT2AGAAGFERAPOBEC3G
SCHEMBL7042688 0.72 ADRB2 (0.45) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL7042588 0.72 ADRB3 (0.50) MEN1KMT2AGAAGFERAPOBEC3G

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-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO disclosed