SCHEMBL6936906

SCHEMBL6936906

CC(=O)N1CC(=S(=O)=O)C[C@H]1C(=O)O.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
DPP4 P27487 1/20 0.45
FAP Q12884 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
LTA4H P09960 4/20 0.43
LAP3 P28838 1/20 0.42
PPARA Q07869 3/20 0.42
LNPEP Q9UIQ6 1/20 0.42
ACE P12821 1/20 0.42
PPARD Q03181 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
S1PR5 Q9H228 1/20 0.41
YAP1 P46937 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
SCHEMBL6935325 0.89 ITGA4 (0.45)
SCHEMBL6935180 0.87 DPP4 (0.47) PPARGDPP4FAPDPP8DPP9
SCHEMBL8202004 0.78 DPP4 (0.45) PPARGDPP4FAPDPP8DPP9
SCHEMBL6935321 0.78 DPP4 (0.45) PPARGDPP4FAPDPP8DPP9
SCHEMBL6935894 0.78 YAP1 (0.48) PPARGDPP4FAPDPP8DPP9
SCHEMBL659105 0.77 SLC7A5 (0.69) PPARGLTA4HLAP3PPARAPPARD
SCHEMBL515522 0.77 SLC7A5 (0.69) PPARGLTA4HLAP3PPARAPPARD
SCHEMBL288912 0.77 SLC7A5 (0.69) PPARGLTA4HLAP3PPARAPPARD
SCHEMBL6934214 0.76 ITGB3 (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL6934215 0.76 DPP4 (0.42) PPARGDPP4FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984981-B1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LTD (GB) 2003-12-17 EP disclosed
US-6093696-A N-ACETYL-D-THIOPROLINE-(O-2,6-DICHLOROBENZYL)-L-TYROSINE, FOR EXAMPLE; SELECTIVELY INHIBIT THE ALPHA 4 SUBGROUP OF INTEGRINS FROM BINDING TO THEIR LIGANDS; USE IN PROPHYLAXIS OR TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed