SCHEMBL6479141

SCHEMBL6479141

COC(=O)[C@H](Cc1ccc(OC(=O)N2CCC(NC(=O)Cc3ccccc3)CC2)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
YAP1 P46937 2/20 0.53
REN P00797 2/20 0.50
CAPN1 P07384 5/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PSMB11 A5LHX3 2/20 0.47
PSMA7 O14818 2/20 0.47
PSMB1 P20618 2/20 0.47
PSMA1 P25786 2/20 0.47
PSMA2 P25787 2/20 0.47
PSMA3 P25788 2/20 0.47
PSMA4 P25789 2/20 0.47
PSMB8 P28062 2/20 0.47

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
SCHEMBL6473778 0.89 YAP1 (0.49) YAP1CAPN1MEN1KMT2APSMB11
Hydrochloric Acid SCHEMBL6473826 0.86 KMT2A (0.50) YAP1CAPN1MEN1KMT2APSMB11
SCHEMBL6474199 0.81 MAPK1 (0.56) MAPK1YAP1RENCAPN1CACNA1B
SCHEMBL6474204 0.81 MAPK1 (0.56) MAPK1YAP1RENCAPN1CACNA1B
SCHEMBL8073093 0.80 REN (0.68) RENCAPN1ALDH1A1
SCHEMBL28376535 0.80 REN (0.68) RENCAPN1ALDH1A1
SCHEMBL30789039 0.80 REN (0.68) RENCAPN1ALDH1A1
SCHEMBL18171935 0.80 REN (0.68) RENCAPN1ALDH1A1
SCHEMBL7319373 0.80 REN (0.68) RENCAPN1ALDH1A1
SCHEMBL6481485 0.80 CTSK (0.56) CAPN1

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