SCHEMBL6574703

SCHEMBL6574703

CCCCCN(C(=O)OC(C)(C)C)[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 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 2/20 0.39
PTPN1 P18031 6/20 0.34
PTPN22 Q9Y2R2 2/20 0.34
PPARA Q07869 2/20 0.33
S1PR2 O95136 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
PTPRA P18433 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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 1.00 S1PR1 (0.39) S1PR1S1PR3PTPN1PTPN22PPARA
SCHEMBL6573631 0.92 S1PR1 (0.41) S1PR1S1PR3PTPN1PTPN22PPARA
SCHEMBL6573005 0.87 S1PR1 (0.41) S1PR1S1PR3PPARAS1PR2MMP1
SCHEMBL6571551 0.86 S1PR1 (0.40) S1PR1S1PR3PPARAS1PR2MMP1
SCHEMBL8115628 0.81 S1PR1 (0.41) S1PR1S1PR3PPARAS1PR2MMP1
SCHEMBL6575641 0.80 S1PR1 (0.43) S1PR1S1PR3PPARAS1PR2MMP1
SCHEMBL28365896 0.72 L3MBTL1 (0.39)
SCHEMBL7273178 0.72 L3MBTL1 (0.39)
SCHEMBL28365893 0.72 L3MBTL1 (0.39)
SCHEMBL7280562 0.72 L3MBTL1 (0.39)

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