SCHEMBL6935539

SCHEMBL6935539

CC(=O)N1CCC(=S)[C@H]1C(=O)O.COc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
FAP Q12884 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
TPH1 P17752 7/20 0.45
LDHA P00338 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PTPN1 P18031 1/20 0.40
SLC7A5 Q01650 1/20 0.39
MTNR1B P49286 2/20 0.39
MTNR1A P48039 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6934288 0.87 PPARG (0.47) DPP4FAPDPP8DPP9DPP7
SCHEMBL6931543 0.86 CTSL (0.40) ITGB3ITGA2BPTPN1SLC7A5
SCHEMBL6930581 0.85 ITGB3 (0.47) ITGB3ITGA2BSLC7A5
SCHEMBL6935590 0.83 ITGA4 (0.48)
SCHEMBL6930981 0.83 ITGB1 (0.39) TPH1ITGB3ITGA2BPTPN1
Tyrosine SCHEMBL7712095 0.82 SLC7A5 (0.50) DPP4TPH1SLC7A5
SCHEMBL597743 0.77 LDHA (0.71) TPH1LDHAITGB3ITGA2BPTPN1
SCHEMBL158667 0.77 LDHA (0.71) TPH1LDHAITGB3ITGA2BPTPN1
SCHEMBL126195 0.77 LDHA (0.71) TPH1LDHAITGB3ITGA2BPTPN1
Hydrochloric Acid SCHEMBL16446949 0.76 LDHA (0.69) TPH1LDHAITGB3ITGA2BPTPN1

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