SCHEMBL6479977

SCHEMBL6479977

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.62
CTSS P25774 2/20 0.62
CTSK P43235 2/20 0.62
REN P00797 5/20 0.60
ACE P12821 4/20 0.55
MAPK1 P28482 1/20 0.55
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
NPY4R P50391 1/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
MME P08473 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
CAPN1 P07384 1/20 0.51

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
SCHEMBL30698082 0.95 CTSS (0.65) FOLH1CTSSCTSKRENACE
SCHEMBL31094969 0.94 CTSS (0.56) FOLH1CTSSCTSKRENMAPK1
SCHEMBL28630396 0.92 CTSS (0.72) FOLH1CTSSCTSKRENACE
SCHEMBL3499528 0.91 REN (0.71) CTSSCTSKRENACEMAPK1
SCHEMBL17629479 0.91 REN (0.71) CTSSCTSKRENACEMAPK1
SCHEMBL21244275 0.91 REN (0.71) CTSSCTSKRENACEMAPK1
SCHEMBL19341935 0.91 REN (0.71) CTSSCTSKRENACEMAPK1
SCHEMBL3824374 0.91 REN (0.71) CTSSCTSKRENACEMAPK1
SCHEMBL29275103 0.90 IL1RN (0.59) CTSSCTSKRENNPY1RNPY4R
SCHEMBL29275108 0.90 IL1RN (0.59) CTSSCTSKRENNPY1RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed