SCHEMBL28612629

SCHEMBL28612629

C=C(C)C(=O)ON(CC)C(=O)NCCCP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.36
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR5 Q9H228 1/20 0.36
MMP2 P08253 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR2 Q9HBW0 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28985883 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28687581 0.81 ADRA1A (0.39)
SCHEMBL28985865 0.78 EPHX2 (0.35) ALDH1A1
SCHEMBL28985846 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28677646 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28698296 0.74 EGLN1 (0.39) ALDH1A1
SCHEMBL432614 0.71 S1PR2 (0.43) LPAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL16387922 0.70 TSHR (0.45) LPAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL22116279 0.70 TSHR (0.41) LPAR1S1PR2S1PR4S1PR1S1PR3
SCHEMBL2946748 0.67 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836095-A Phosphonate-containing polymers for virulence inhibition 3M创新有限公司 2023-03-21 CN disclosed
CN-113195567-B Zwitterionic copolymers, coating compositions, articles and methods of coating 3M创新有限公司 2023-01-03 CN disclosed
CN-113195567-A Zwitterionic copolymers, coating compositions, articles and methods of coating 3M创新有限公司 2021-07-30 CN disclosed