SCHEMBL6935894

SCHEMBL6935894

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.48
MCL1 Q07820 2/20 0.44
DPP4 P27487 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
LTA4H P09960 4/20 0.42
ACE P12821 1/20 0.42
GHSR Q92847 3/20 0.41
LAP3 P28838 1/20 0.40
SLC7A5 Q01650 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL6935180 0.90 DPP4 (0.47) YAP1DPP4FAPDPP8DPP9
SCHEMBL6934215 0.88 DPP4 (0.42) YAP1DPP4FAPDPP8DPP9
SCHEMBL8202004 0.86 DPP4 (0.45) YAP1DPP4FAPDPP8DPP9
SCHEMBL6935321 0.86 DPP4 (0.45) YAP1DPP4FAPDPP8DPP9
SCHEMBL6933977 0.84 LTA4H (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL7908667 0.83 DPP4 (0.44) YAP1DPP4FAPDPP8DPP9
SCHEMBL7075757 0.82 LNPEP (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL6930978 0.82 LTA4H (0.46) YAP1DPP4FAPDPP8DPP9
SCHEMBL7896696 0.81 RAB9A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL7905108 0.81 GPR132 (0.43) YAP1DPP4FAPDPP8DPP9

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