SCHEMBL2819987

SCHEMBL2819987

N[C@@H](CCC(=O)NCCc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.61
SLC7A5 Q01650 3/20 0.58
MAPT P10636 5/20 0.57
HSD17B10 Q99714 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 3/20 0.55
HIF1A Q16665 3/20 0.55
PTGS1 P23219 2/20 0.55
USP2 O75604 2/20 0.55
ALOX15 P16050 2/20 0.55
EGFR P00533 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ERCC1 P07992 1/20 0.54

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
SCHEMBL29683951 1.00 TRPV1 (0.61) TRPV1SLC7A5MAPTHSD17B10MEN1
SCHEMBL22852440 0.92 TRPV1 (0.65) TRPV1SLC7A5MAPTHSD17B10MEN1
SCHEMBL22852422 0.86 SLC7A5 (0.60) TRPV1SLC7A5MAPTHSD17B10MEN1
SCHEMBL23950311 0.85 SLC7A5 (0.51) TRPV1SLC7A5KDM4EGAA
SCHEMBL31540123 0.85 SLC7A5 (0.51) TRPV1SLC7A5KDM4EGAA
SCHEMBL9153352 0.83 SLC7A5 (0.44) TRPV1SLC7A5MAPTHSD17B10MEN1
SCHEMBL109158 0.83 MAPT (0.73) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL5076586 0.82 HDAC3 (0.57) USP2HPGDLMNA
SCHEMBL5076581 0.82 HDAC3 (0.57) USP2HPGDLMNA
SCHEMBL3927180 0.82 HDAC8 (0.57) TRPV1SLC7A5MAPTHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020179-B9 PEPTIDE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, USE OF SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITION OTKRYTOE AKTSIONERNOE OBSCHESTVO OTECHESTVENNYE LEKARSTVA (RU) 2011-02-02 EP disclosed
EP-2229935-A1 Peptide derivatives or pharmaceutically acceptable salts thereof, method for producing the same, use of said derivatives and pharmaceutical composition Nebolsin, Vladimir Evgenievich (RU) 2010-09-22 EP disclosed
EP-1042286-B1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS LLC (US) 2010-08-25 EP disclosed
EP-1020179-B1 PEPTIDE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, USE OF SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITION OTKRYTOE AKTSIONERNOE OBSCHEST (RU) 2009-12-09 EP disclosed
EP-1020179-A2 PEPTIDE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, USE OF SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITION Nebolsin, Vladimir Evgenievich (RU) 2000-07-19 EP disclosed
US-5916878-A DIPEPTIDE OF EITHER GAMMA-GLUTAMYL-L-TRYPTOPHAN OR BETA-ASPARTYL-L-TRYPTOPHAN; ADMINISTERING TO THE PATIENTS TO REDUCE THE RISKS INFECTIONS FROM MICROORGANISM Wei, Edward T. (US) 1999-06-29 US disclosed
US-5744452-A IMMUNE SYSTEM DISORDERS, AIDS Wei, Edward T. (US) 1998-04-28 US disclosed
WO-1997019691-A1 GAMMA-L-GLUTAMYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH WEI, EDWARD, T. (US) 1997-06-05 WO disclosed
EP-0167204-B1 METHOD FOR IMPROVING THE ABSORPTION AND EFFECTIVENESS OF A CATECHOLAMINE COMPOUND SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1989-09-27 EP disclosed
US-4125626-A INCREASE RENAL BLOOD FLOW MT. SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK (US) 1978-11-14 US disclosed