SCHEMBL9636699

SCHEMBL9636699

CCC(C)C([C]=O)NC(=O)C(N)Cc1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.50
KDM4E B2RXH2 4/20 0.50
HIF1A Q16665 4/20 0.50
HSD17B10 Q99714 4/20 0.50
RECQL P46063 3/20 0.50
USP2 O75604 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
HTR2A P28223 2/20 0.50
PTGS2 P35354 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC7A5 Q01650 2/20 0.50
LCK P06239 2/20 0.50
PTGS1 P23219 2/20 0.50
EGFR P00533 1/20 0.50
FYN P06241 1/20 0.50
YARS1 P54577 2/20 0.46
ALOX12 P18054 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL9636704 1.00 ALOX15 (0.50) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL9637011 0.86 ACE (0.48) SLC7A5YARS1OPRK1MMEACE
SCHEMBL9637007 0.86 ACE (0.48) SLC7A5YARS1OPRK1MMEACE
SCHEMBL9637180 0.83 CTSC (0.54) SLC7A5PTGS1CYP3A4MAPK1CYP1A2
SCHEMBL9637178 0.83 CTSC (0.54) SLC7A5PTGS1CYP3A4MAPK1CYP1A2
SCHEMBL11348530 0.82 ALOX15 (0.58) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL11348534 0.82 ALOX15 (0.58) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL9636710 0.81 ALOX15 (0.50) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL11858525 0.80 CTSD (0.51) ALOX15KDM4EHIF1AHSD17B10RECQL
SCHEMBL11852549 0.79 ALOX15 (0.48) ALOX15KDM4EHIF1AHSD17B10RECQL

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-0268678-B1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-29 EP claimed
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 US claimed
EP-0268678-A1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-06-01 EP claimed