SCHEMBL5301771

SCHEMBL5301771

CCCCCC(CC)[C](C(CC)CCCCC)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.52
LAP3 P28838 2/20 0.48
CA2 P00918 3/20 0.47
MAPK1 P28482 1/20 0.47
SMPD1 P17405 3/20 0.46
CA1 P00915 1/20 0.45
S1PR2 O95136 4/20 0.43
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 4/20 0.43
S1PR4 O95977 3/20 0.43

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
SCHEMBL28211137 0.82 FDPS (0.53) FDPSLAP3CA2MAPK1SMPD1
SCHEMBL4611252 0.77 CA2 (0.59) FDPSLAP3CA2MAPK1CA1
SCHEMBL16987200 0.77 FDPS (0.54) FDPSLAP3CA2SMPD1S1PR2
SCHEMBL16987214 0.75 FDPS (0.55) FDPSLAP3CA2SMPD1S1PR2
SCHEMBL16987203 0.75 FDPS (0.55) FDPSLAP3CA2SMPD1S1PR2
SCHEMBL5306862 0.73 S1PR2 (0.50) FDPSLAP3CA2MAPK1SMPD1
SCHEMBL531738 0.73 CA2 (0.60) CA2MAPK1CA1
SCHEMBL28173233 0.72 CA2 (0.79) CA2MAPK1CA1
SCHEMBL3839242 0.72 CA2 (0.79) CA2MAPK1CA1
SCHEMBL27260606 0.72 FDPS (0.59) FDPSLAP3SMPD1S1PR2S1PR1

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
EP-1828285-A1 ORGANOPOLYSILOXANE POLYUREA COPOLYMERS Wacker Chemie AG (DE) 2007-09-05 EP disclosed
WO-2006069639-A1 ORGANOPOLYSILOXANE POLYUREA COPOLYMERS WACKER CHEMIE AG (DE) 2006-07-06 WO disclosed