SCHEMBL27725191

SCHEMBL27725191

CCCCC(C(=O)OP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.48
SMPD1 P17405 3/20 0.42
LAP3 P28838 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 4/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR6 P43657 1/20 0.36
LPAR4 Q99677 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36

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
SCHEMBL7718923 0.83 FDPS (0.50) FDPSSMPD1LAP3CA1CA2
SCHEMBL27948942 0.79 FDPS (0.45) FDPSSMPD1CA1CA2LPAR3
SCHEMBL9486473 0.79 FDPS (0.47) FDPSSMPD1LAP3LPAR3LPAR2
SCHEMBL5176956 0.78 CA2 (0.61) FDPSSMPD1CA1CA2
SCHEMBL27811198 0.76 FDPS (0.53) FDPSSMPD1LAP3LPAR3LPAR2
SCHEMBL27811200 0.76 FDPS (0.53) FDPSSMPD1LAP3LPAR3LPAR2
SCHEMBL12227438 0.76 ZDHHC7 (0.56) FDPSSMPD1LAP3CA1CA2
SCHEMBL4268938 0.76 FDPS (0.53) FDPSSMPD1LAP3LPAR3LPAR2
SCHEMBL17053099 0.76 FDPS (0.53) FDPSSMPD1LAP3LPAR3LPAR2
SCHEMBL3232568 0.76 FOLH1 (0.57) FDPSLAP3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101137623-B N-sulphonylpyrroles and use thereof as histone deacetylase inhibitors NYCOMED GMBH 2013-03-27 CN disclosed
CN-101137623-A N-sulphonylpyrroles and their use as histone deacetylase inhibitors NYCOMED GMBH (DE) 2008-03-05 CN disclosed