SCHEMBL6572828

SCHEMBL6572828

O=C(O)CCC(=O)N[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.55
GRIA1 P42261 1/20 0.52
PTPN1 P18031 3/20 0.51
FOLH1 Q04609 4/20 0.49
CHRNA1 P02708 2/20 0.48
CHRNG P07510 2/20 0.48
CHRNB1 P11230 2/20 0.48
CHRND Q07001 2/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 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
SCHEMBL6572832 1.00 SRC (0.55) SRCGRIA1PTPN1FOLH1CHRNA1
SCHEMBL6574908 0.89 PTPN1 (0.66) GRIA1PTPN1FOLH1CHRNDCHRNB2
SCHEMBL6575538 0.87 SRD5A2 (0.45) SRCGRIA1PTPN1FOLH1ITGB3
SCHEMBL6573106 0.87 GRIA1 (0.50) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6572344 0.87 PTPN1 (0.62) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL6571434 0.87 PTPN1 (0.62) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL6573110 0.87 GRIA1 (0.50) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6571438 0.87 PTPN1 (0.62) GRIA1PTPN1CHRNA1CHRNGCHRNB1
SCHEMBL6575632 0.86 KLKB1 (0.46) PTPN1FOLH1
SCHEMBL6575066 0.86 PTPN1 (0.61) GRIA1PTPN1CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP claimed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO claimed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed