SCHEMBL6573129

SCHEMBL6573129

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLG P00747 9/20 0.60
PRSS1 P07477 6/20 0.60
PRSS2 P07478 6/20 0.60
PRSS3 P35030 6/20 0.60
KLKB1 P03952 1/20 0.56
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
PPARG P37231 1/20 0.52
REN P00797 1/20 0.51
FOLH1 Q04609 1/20 0.51
TACR2 P21452 3/20 0.51

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
SCHEMBL4315647 0.94 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL4315645 0.94 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6571743 0.94 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6574706 0.87 PTPN1 (0.63) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6572853 0.85 PLG (0.54) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6572858 0.85 PLG (0.54) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6572483 0.84 FOLH1 (0.55) KLKB1FOLH1
SCHEMBL6572481 0.84 FOLH1 (0.55) KLKB1FOLH1
SCHEMBL6571693 0.84 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL22372487 0.83 CHRND (0.59) PLGPRSS1PRSS2PRSS3FOLH1

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 6 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-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