SCHEMBL7028575

SCHEMBL7028575

C[C@@H](C(=O)O)C1CC(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.42
ITGA5 P08648 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGB2 P05107 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGAL P20701 1/20 0.42
TSHR P16473 1/20 0.41
ACE P12821 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRR1 P24046 2/20 0.34
GABRA4 P48169 1/20 0.34
MAPT P10636 1/20 0.33
TP53 P04637 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
SCHEMBL7772078 1.00 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL9268468 0.78 TSHR (0.38) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL11032332 0.75
SCHEMBL38658426 0.74
SCHEMBL16046289 0.72 TSHR (0.37) TSHRACEGABRA1GABRA5GABRB2
SCHEMBL16046287 0.72 TSHR (0.37) TSHRACEGABRA1GABRA5GABRB2
SCHEMBL16046939 0.72 TSHR (0.37) TSHRACEGABRA1GABRA5GABRB2
SCHEMBL28400172 0.72
SCHEMBL22434499 0.72 CDC7 (0.35) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7768091 0.71 ITGB1 (0.40) ITGB1ITGA5ITGB3ITGB2ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684249-B1 Phosphine compounds, complexes containing the phosphine compounds as ligands, and process for producing optically active aldehydes using the phosphine compounds or complexes TAKASAGO PERFUMERY CO LTD (JP) 2003-02-19 EP disclosed
EP-0684230-B1 4- (R)-1'-formylethyl azetidin-2-one derivatives TAKASAGO PERFUMERY CO LTD (JP) 2002-07-03 EP disclosed
EP-0614903-B1 Process for producing optically active aldehydes using transition metal-phosphine complexes, and process for producing intermediates for carbapenem antibiotics using the same complexes TAKASAGO PERFUMERY CO LTD (JP) 2000-09-20 EP disclosed
US-5530150-A HAVING PHOSPHINE AND PHOSPHITE GROUPS IN SAME MOLECULE; CATALYST SELECTIVITY TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-06-25 US disclosed
EP-0684249-A1 Phosphine compounds, complexes containing the phosphine compounds as ligands, and process for producing optically active aldehydes using the phosphine compounds or complexes Takasago International Corporation (JP) 1995-11-29 EP disclosed
EP-0684230-A1 4- (R)-1'-formylethyl azetidin-2-one derivatives Takasago International Corporation (JP) 1995-11-29 EP disclosed
EP-0614903-A2 Phosphine compounds, complexes containing the phosphine compounds as ligands, process for producing optically active aldehydes using the phosphine compounds, or complexes, and 4-[(R)-1' formylethyl]azetidin-2-one derivatives Takasago International Corporation (JP) 1994-09-14 EP disclosed