SCHEMBL7262102

SCHEMBL7262102

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESRRA P11474 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL10657021 0.90 SLC7A5 (0.42) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL6140548 0.87 ALOX15 (0.60) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL31613032 0.87 ALOX15 (0.60) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL18194421 0.84 ALOX15 (0.51) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL7266117 0.84 THRB (0.49) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL5027133 0.84 LDHA (0.41) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL10656842 0.83 SLC7A5 (0.67) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL14856009 0.83 SLC7A5 (0.67) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL7892985 0.83 SLC7A5 (0.67) SLC7A5ALOX15HSD17B10KDM4EUSP2
SCHEMBL29809967 0.83 SLC7A5 (0.67) SLC7A5ALOX15HSD17B10KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP disclosed
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed