SCHEMBL6935180

SCHEMBL6935180

CC(=O)N1CC(=S)C[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
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
PPARG P37231 5/20 0.45
LTA4H P09960 4/20 0.44
LAP3 P28838 1/20 0.43
PPARA Q07869 3/20 0.43
LNPEP Q9UIQ6 1/20 0.43
ACE P12821 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
PPARD Q03181 1/20 0.42
S1PR5 Q9H228 1/20 0.42
YAP1 P46937 1/20 0.42

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
SCHEMBL8202004 0.91 DPP4 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL6935321 0.91 DPP4 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL6935894 0.90 YAP1 (0.48) DPP4FAPDPP8DPP9DPP7
Phenylalanine SCHEMBL7906184 0.90 SLC7A5 (0.52) DPP4FAPDPP8DPP9DPP7
SCHEMBL6934214 0.89 ITGB3 (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL6934215 0.89 DPP4 (0.42) DPP4FAPDPP8DPP9DPP7
SCHEMBL6933977 0.88 LTA4H (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL6933976 0.88 ITGA4 (0.46)
SCHEMBL6933289 0.88 PTPN1 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL6933365 0.88 PPARG (0.52) PPARGACEYAP1

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