SCHEMBL7446338

SCHEMBL7446338

CCN(C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.53
PTPN1 P18031 2/20 0.51
YAP1 P46937 3/20 0.50
ACE P12821 1/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
PSMB10 P40306 4/20 0.47
REN P00797 1/20 0.46
PSMB1 P20618 7/20 0.46
PSMB9 P28065 6/20 0.46
PSMB5 P28074 6/20 0.46
PSMB8 P28062 5/20 0.46
PSMB2 P49721 3/20 0.46

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
SCHEMBL5403799 0.91 CTSS (0.53) ACE
SCHEMBL5412133 0.80 PPARA (0.59) ACE
SCHEMBL193474 0.80 PTPN1 (0.73) BCL2PTPN1YAP1ACEITGB3
SCHEMBL193473 0.80 PTPN1 (0.73) BCL2PTPN1YAP1ACEITGB3
SCHEMBL2891538 0.80 PTPN1 (0.73) BCL2PTPN1YAP1ACEITGB3
SCHEMBL5347955 0.80 BCL2 (0.59) BCL2PTPN1YAP1ITGB3ITGA2B
SCHEMBL5347958 0.80 BCL2 (0.59) BCL2PTPN1YAP1ITGB3ITGA2B
SCHEMBL6597802 0.80 BCL2 (0.59) BCL2PTPN1YAP1ITGB3ITGA2B
SCHEMBL5833633 0.79 MME (0.44) YAP1ACE
SCHEMBL7446328 0.79 AKT1 (0.60) BCL2PTPN1YAP1ITGB3ITGA2B

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-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US disclosed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US disclosed
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed