SCHEMBL6474177

SCHEMBL6474177

CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(NC(=O)CC3CCCCC3)CC2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.49
CASP3 P42574 4/20 0.49
CASP7 P55210 4/20 0.49
CASP6 P55212 4/20 0.49
CASP8 Q14790 4/20 0.49
YAP1 P46937 8/20 0.46
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PSMB11 A5LHX3 2/20 0.40
PSMA7 O14818 2/20 0.40
PSMB1 P20618 2/20 0.40
PSMA1 P25786 2/20 0.40
PSMA2 P25787 2/20 0.40
PSMA3 P25788 2/20 0.40
PSMA4 P25789 2/20 0.40
PSMB8 P28062 2/20 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
SCHEMBL6472835 0.93 CASP1 (0.51) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6473069 0.92 YAP1 (0.46) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6478978 0.91 CASP1 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6480778 0.90 YAP1 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6479150 0.89 CASP1 (0.52) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6532390 0.85 CASP1 (0.49) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6478253 0.84 L3MBTL1 (0.42) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6472845 0.83 MEN1 (0.46) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6473988 0.83 YAP1 (0.42) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6473896 0.82 PSMB11 (0.44) CASP1CASP3CASP7CASP6CASP8

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 6 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 claimed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP claimed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO claimed
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