SCHEMBL6573631

SCHEMBL6573631

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)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR2 O95136 1/20 0.35
PTPN1 P18031 4/20 0.34
PTPN22 Q9Y2R2 2/20 0.34
LTA4H P09960 3/20 0.33
PPARA Q07869 1/20 0.33
S1PR4 O95977 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
MMP3 P08254 2/20 0.32
KLKB1 P03952 2/20 0.31
SRC P12931 1/20 0.31
MMP2 P08253 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
SCHEMBL6574703 0.92 S1PR1 (0.39) S1PR1S1PR3S1PR2PTPN1PTPN22
SCHEMBL6571345 0.92 S1PR1 (0.39) S1PR1S1PR3S1PR2PTPN1PTPN22
SCHEMBL6575641 0.88 S1PR1 (0.43) S1PR1S1PR3S1PR2LTA4HPPARA
SCHEMBL6571551 0.82 S1PR1 (0.40) S1PR1S1PR3S1PR2LTA4HPPARA
SCHEMBL6573005 0.81 S1PR1 (0.41) S1PR1S1PR3S1PR2LTA4HPPARA
SCHEMBL8115628 0.73 S1PR1 (0.41) S1PR1S1PR3S1PR2PPARAS1PR4
SCHEMBL28365896 0.71 L3MBTL1 (0.39)
SCHEMBL7273178 0.71 L3MBTL1 (0.39)
SCHEMBL28365893 0.71 L3MBTL1 (0.39)
SCHEMBL7280562 0.71 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