SCHEMBL8740352

SCHEMBL8740352

N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.58
KDM4E B2RXH2 4/20 0.58
ALOX15 P16050 4/20 0.58
HIF1A Q16665 4/20 0.58
HSD17B10 Q99714 4/20 0.58
RECQL P46063 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
USP2 O75604 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
PTGS1 P23219 2/20 0.58
HTR2A P28223 2/20 0.58
PTGS2 P35354 2/20 0.58
EGFR P00533 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
KDM6B O15054 1/20 0.46
APP P05067 2/20 0.41
PLA2G1B P04054 1/20 0.41

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
SCHEMBL28726263 0.85 SLC7A5 (0.63) SLC7A5KDM4EALOX15HIF1AHSD17B10
SCHEMBL19115126 0.83 SLC7A5 (0.57) SLC7A5KDM4EALOX15HIF1AHSD17B10
SCHEMBL31453291 0.82 SLC7A5 (0.63) SLC7A5KDM4EALOX15HIF1AHSD17B10
SCHEMBL11440820 0.82 SLC7A5 (0.63) SLC7A5KDM4EALOX15HIF1AHSD17B10
SCHEMBL1070495 0.82 SLC7A5 (0.63) SLC7A5KDM4EALOX15HIF1AHSD17B10
Hydrochloric Acid SCHEMBL4126484 0.81 SLC7A5 (0.61) SLC7A5KDM4EALOX15HIF1AHSD17B10
Hydrochloric Acid SCHEMBL4188588 0.81 SLC7A5 (0.61) SLC7A5KDM4EALOX15HIF1AHSD17B10
SCHEMBL11508934 0.79 KDM4E (0.67) SLC7A5KDM4EALOX15HIF1AHSD17B10
SCHEMBL7947874 0.79 ESR1 (0.60) SLC7A5KDM4EALOX15HIF1AHSD17B10
SCHEMBL2891055 0.77 ALOX15 (0.64) SLC7A5KDM4EALOX15HIF1AHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619704-A4 METHOD AND COMPOSITION FOR TREATING TUMORS HAVING HIGH TYROSINASE ACTIVITY. RUBIN DAVID (US) 1997-03-26 EP disclosed
EP-0619704-A1 METHOD AND COMPOSITION FOR TREATING TUMORS HAVING HIGH TYROSINASE ACTIVITY Rubin, David (US) 1994-10-19 EP disclosed
WO-1993008688-A1 METHOD AND COMPOSITION FOR TREATING TUMORS HAVING HIGH TYROSINASE ACTIVITY SCHWIMMER, ADOLPH (US) 1993-05-13 WO disclosed