SCHEMBL28528617

SCHEMBL28528617

C=CCOCC(COP(=O)(O)OCC(O)CO)OCC=C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
SELP P16109 1/20 0.38
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RY10 O00398 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
SCHEMBL9237355 0.87 PLA2G2C (0.37) CA1CA2CA7CA9LPAR1
SCHEMBL22778166 0.83 LPAR1 (0.38) CA1CA2CA7CA9LPAR1
SCHEMBL170150 0.82 SMN1; SMN2 (0.37) CA1CA2CA7SELPLPAR3
SCHEMBL9279694 0.82 SMN1; SMN2 (0.37) CA1CA2CA7SELPLPAR3
SCHEMBL9816232 0.82 CA1 (0.52) CA1CA2CA7CA4CA9
SCHEMBL22778213 0.81 PLA2G2A (0.38) CA1CA2CA7CA9LPAR1
SCHEMBL461952 0.81 PLA2G2C (0.45) CA1CA2CA7LPAR1LPAR3
SCHEMBL22778250 0.81 LPAR1 (0.43) CA1CA2CA7LPAR1LPAR3
SCHEMBL28206699 0.81 LPAR3 (0.46) CA1CA2CA7CA9LPAR1
SCHEMBL28002680 0.81 LPAR3 (0.46) CA1CA2CA7CA9LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112367974-A Mucus penetrating peptides, delivery vehicles, and methods of treatment DNALite治疗学公司 2021-02-12 CN disclosed