SCHEMBL8763598

SCHEMBL8763598

COC(=O)[C@@H](N)Cc1ccc(OCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
PTGS2 P35354 1/20 0.41
HTRA1 Q92743 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 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
SCHEMBL7298611 1.00 PTPN1 (0.47) PTPN1LTA4HALDH1A1MEN1KMT2A
SCHEMBL16355748 0.92 PTPN1 (0.48) PTPN1LTA4HMEN1KMT2APSEN1
SCHEMBL27564491 0.90 LTA4H (0.46) PTPN1LTA4HALDH1A1MEN1KMT2A
SCHEMBL5283434 0.87 PSEN1 (0.44) PTPN1LTA4HALDH1A1MEN1KMT2A
SCHEMBL7454762 0.87 ITGB3 (0.54) PTPN1HDAC8PTGS2ITGB3ITGA2B
SCHEMBL22256342 0.87 ITGB3 (0.54) PTPN1HDAC8PTGS2ITGB3ITGA2B
SCHEMBL6698814 0.86 PTPN1 (0.47) PTPN1LTA4HALDH1A1MEN1KMT2A
SCHEMBL5024741 0.85 PTPN1 (0.47) PTPN1LTA4HALDH1A1MEN1KMT2A
SCHEMBL5024744 0.85 PTPN1 (0.47) PTPN1LTA4HALDH1A1MEN1KMT2A
SCHEMBL7353329 0.84 LTA4H (0.53) PTPN1LTA4HALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770063-A1 TECHNETIUM-SULPHONAMIDE COMPLEXES, THEIR USE, PHARMACEUTICAL AGENTS CONTAINING THEM, AND PROCESS FOR PRODUCING THE COMPLEXES AND AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-02 EP disclosed
WO-1996002500-A1 TECHNETIUM-SULPHONAMIDE COMPLEXES, THEIR USE, PHARMACEUTICAL AGENTS CONTAINING THEM, AND PROCESS FOR PRODUCING THE COMPLEXES AND AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed