SCHEMBL6473757

SCHEMBL6473757

CC(C)C[C@H](NC(=O)CBr)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.46
MMP1 P03956 1/20 0.46
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP3A7 P24462 1/20 0.43
CYP3A43 Q9HB55 1/20 0.43
CTSS P25774 2/20 0.43
PSMB5 P28074 3/20 0.42
YAP1 P46937 2/20 0.42
PSMB10 P40306 1/20 0.42
PSMB2 P49721 1/20 0.42
PSMB8 P28062 1/20 0.42
REN P00797 1/20 0.42
TMPRSS11D O60235 1/20 0.41
CTRL P40313 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6481358 0.86 CACNA1B (0.49) CACNA1BMMP1RAB9AYAP1PSMB8
SCHEMBL6686538 0.86 CACNA1B (0.49) CACNA1BMMP1RAB9AYAP1PSMB8
SCHEMBL6479130 0.85 CTSK (0.55) CACNA1BCTSS
Hydrochloric Acid SCHEMBL6473882 0.85 CACNA1B (0.48) CACNA1BMMP1RAB9APSMB5YAP1
Hydrochloric Acid SCHEMBL7539648 0.85 CACNA1B (0.48) CACNA1BMMP1RAB9APSMB5YAP1
SCHEMBL6665022 0.80 CYP3A4 (0.42) CACNA1BMMP1CYP3A4CYP3A5CYP3A7
SCHEMBL6665016 0.80 REN (0.41) CACNA1BMMP1CYP3A4CYP3A5CYP3A7
SCHEMBL7339983 0.79 CTSS (0.59) CACNA1BCTSSPSMB5YAP1PSMB10
SCHEMBL6481485 0.77 CTSK (0.56) CTSS
SCHEMBL6473778 0.77 YAP1 (0.49) PSMB5YAP1PSMB10PSMB2PSMB8

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 3 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-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