SCHEMBL6934288

SCHEMBL6934288

CC(=O)N1CCC(=S)[C@H]1C(=O)O.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
DPP4 P27487 1/20 0.47
FAP Q12884 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
GHSR Q92847 1/20 0.45
RORC P51449 1/20 0.45
LTA4H P09960 3/20 0.44
LAP3 P28838 1/20 0.43
YAP1 P46937 2/20 0.43
PPARA Q07869 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
LNPEP Q9UIQ6 2/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL6930581 0.91 ITGB3 (0.47) LTA4HITGB3ITGA2B
SCHEMBL6935590 0.88 ITGA4 (0.48)
SCHEMBL6935539 0.87 DPP4 (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL6931543 0.86 CTSL (0.40) ITGB3ITGA2B
SCHEMBL6930981 0.81 ITGB1 (0.39) ITGB3ITGA2B
SCHEMBL6935180 0.81 DPP4 (0.47) PPARGDPP4FAPDPP8DPP9
SCHEMBL515522 0.78 SLC7A5 (0.69) PPARGLTA4HLAP3PPARAITGB3
SCHEMBL288912 0.78 SLC7A5 (0.69) PPARGLTA4HLAP3PPARAITGB3
SCHEMBL659105 0.78 SLC7A5 (0.69) PPARGLTA4HLAP3PPARAITGB3
Tyrosine SCHEMBL7712095 0.78 SLC7A5 (0.50) DPP4

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