SCHEMBL6573364

SCHEMBL6573364

CCCCCN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
REN P00797 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CTRC Q99895 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
CCR6 P51684 1/20 0.34
PAX8 Q06710 1/20 0.34
KLKB1 P03952 2/20 0.34
SLC15A1 P46059 1/20 0.34
LAP3 P28838 1/20 0.34

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
SCHEMBL6571345 0.87 S1PR1 (0.39) S1PR1S1PR3ITGB3ITGA2BPPARA
SCHEMBL6574703 0.87 S1PR1 (0.39) S1PR1S1PR3ITGB3ITGA2BPPARA
SCHEMBL6573005 0.86 S1PR1 (0.41) LTA4HS1PR1S1PR3ITGB3ITGA2B
SCHEMBL6571551 0.85 S1PR1 (0.40) LTA4HS1PR1S1PR3ITGB3ITGA2B
SCHEMBL8115628 0.79 S1PR1 (0.41) S1PR1S1PR3ITGB3ITGA2BPPARA
SCHEMBL6573631 0.79 S1PR1 (0.41) LTA4HS1PR1S1PR3ITGB3ITGA2B
SCHEMBL6575641 0.78 S1PR1 (0.43) LTA4HS1PR1S1PR3ITGB3ITGA2B
SCHEMBL27870520 0.75 ITGB3 (0.43) ITGB3ITGA2BCCR6PAX8
SCHEMBL28101686 0.73 REN (0.38) RENITGB3ITGA2BLNPEPCCR6
SCHEMBL10528446 0.71 BIRC2 (0.41)

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