SCHEMBL6572632

SCHEMBL6572632

O=C(O)CCC(=O)N[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)NCCOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
PTPN1 P18031 4/20 0.47
FOLH1 Q04609 4/20 0.47
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRND Q07001 1/20 0.45
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL6572635 1.00 ITGB3 (0.48) ITGB3ITGA2BPTPN1FOLH1KLKB1
SCHEMBL6575629 0.86 KLKB1 (0.46) PTPN1FOLH1KLKB1KLK1PTPN22
SCHEMBL6572832 0.86 SRC (0.55) ITGB3ITGA2BPTPN1FOLH1CHRNA1
SCHEMBL6572828 0.86 SRC (0.55) ITGB3ITGA2BPTPN1FOLH1CHRNA1
SCHEMBL6575632 0.86 KLKB1 (0.46) PTPN1FOLH1KLKB1KLK1PTPN22
SCHEMBL6573593 0.84 PTPN1 (0.46) PTPN1FOLH1KLKB1KLK1PTPN22
SCHEMBL6573589 0.84 PTPN1 (0.46) PTPN1FOLH1KLKB1KLK1PTPN22
SCHEMBL6575538 0.83 SRD5A2 (0.45) ITGB3ITGA2BPTPN1FOLH1HDAC8
SCHEMBL6571434 0.83 PTPN1 (0.62) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL6571438 0.83 PTPN1 (0.62) PTPN1CHRNA1CHRNGCHRNB1CHRND

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US claimed
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