SCHEMBL21708950

SCHEMBL21708950

Nc1cc(C[C@H](N)C(=O)O)cc(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.60
USP2 O75604 4/20 0.60
SLC7A5 Q01650 4/20 0.60
ADORA3 P0DMS8 3/20 0.60
ALOX15 P16050 3/20 0.60
PTGS2 P35354 2/20 0.60
KDM4E B2RXH2 2/20 0.60
PTGS1 P23219 2/20 0.60
RECQL P46063 2/20 0.60
HIF1A Q16665 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
EGFR P00533 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
HTR2A P28223 1/20 0.60
THRB P10828 7/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 5/20 0.51
THRA P10827 4/20 0.51

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
SCHEMBL21708949 1.00 HSD17B10 (0.60) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL4616523 0.89 HSD17B10 (0.68) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL358292 0.89 HSD17B10 (0.68) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL5281682 0.83 SLC7A5 (0.60) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL25180570 0.81 SLC7A5 (0.58) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL13957567 0.81 SLC7A5 (0.58) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL180010 0.79 SLC7A5 (0.75) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL30107678 0.79 SLC7A5 (0.75) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL29405664 0.79 SLC7A5 (0.75) HSD17B10USP2SLC7A5ADORA3ALOX15
SCHEMBL29622702 0.79 SLC7A5 (0.75) HSD17B10USP2SLC7A5ADORA3ALOX15

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
EP-2951195-B1 ANTIFOULING MATERIALS YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2020-02-19 EP claimed