SCHEMBL8884063

SCHEMBL8884063

NC(Cc1cnc2ccc(O)cc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.54
GRIA2 P42262 1/20 0.48
PKM P14618 2/20 0.47
TPH1 P17752 3/20 0.47
HSD17B10 Q99714 3/20 0.47
PTGS1 P23219 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
ALOX15 P16050 2/20 0.47
HTR2A P28223 2/20 0.47
USP2 O75604 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
PTGS2 P35354 1/20 0.47
RECQL P46063 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALPI P09923 1/20 0.45
XIAP P98170 1/20 0.45

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
SCHEMBL8884067 1.00 SLC7A5 (0.54) SLC7A5GRIA2PKMTPH1HSD17B10
SCHEMBL31614353 0.83 TPH1 (0.62) SLC7A5PKMTPH1HSD17B10PTGS1
SCHEMBL287095 0.83 TPH1 (0.62) SLC7A5PKMTPH1HSD17B10PTGS1
SCHEMBL8208523 0.83 TPH1 (0.62) SLC7A5PKMTPH1HSD17B10PTGS1
SCHEMBL287073 0.83 TPH1 (0.62) SLC7A5PKMTPH1HSD17B10PTGS1
SCHEMBL30969128 0.83 TPH1 (0.62) SLC7A5PKMTPH1HSD17B10PTGS1
SCHEMBL8883784 0.82 ALDH1A1 (0.56) PKMTPH1PTGS1KDM4EALDH1A1
SCHEMBL8883782 0.82 ALDH1A1 (0.56) PKMTPH1PTGS1KDM4EALDH1A1
SCHEMBL31091507 0.79 SLC7A5 (0.69) SLC7A5GRIA2PKMHSD17B10PTGS1
SCHEMBL15314366 0.78 TPH1 (0.47) SLC7A5PKMTPH1HSD17B10PTGS1

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
US-5639885-A Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1997-06-17 US disclosed
EP-0293071-B1 REDOX AMINO ACIDS AND PEPTIDES CONTAINING THEM UNIVERSITY OF FLORIDA (US) 1993-09-01 EP disclosed
US-5079366-A To derivatize pharmaceutical peptides for transport across the blood/brain barrier UNIVERSITY OF FLORIDA (US) 1992-01-07 US disclosed
US-4888427-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX SYSTEM UNIVERSITY OF FLORIDA (US) 1989-12-19 US disclosed
EP-0293071-A1 Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1988-11-30 EP disclosed