SCHEMBL1036993

SCHEMBL1036993

CCCCCCP(=O)(O)C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.52
LPAR2 Q9HBW0 1/20 0.52
TRPM8 Q7Z2W7 8/20 0.48
ACE2 Q9BYF1 1/20 0.43
CETP P11597 3/20 0.42

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
SCHEMBL1315919 0.92 TRPM8 (0.42) LPAR3LPAR2TRPM8
SCHEMBL1313868 0.84 CHRM1 (0.36)
SCHEMBL339477 0.81 LPAR3 (0.48) LPAR3LPAR2TRPM8ACE2CETP
SCHEMBL11174705 0.79 TRPM8 (0.61) LPAR3LPAR2TRPM8
SCHEMBL5955984 0.79 TRPM8 (0.61) LPAR3LPAR2TRPM8
SCHEMBL339910 0.79 LPAR3 (0.45) LPAR3LPAR2TRPM8
SCHEMBL338061 0.78 LPAR3 (0.48) LPAR3LPAR2TRPM8
SCHEMBL17626440 0.77 TRPM8 (0.60) LPAR3LPAR2TRPM8
SCHEMBL30481398 0.77 LPAR3 (0.47) LPAR3LPAR2TRPM8
SCHEMBL30481437 0.77 LPAR3 (0.47) LPAR3LPAR2TRPM8

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-1832596-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT FINANCE BVI LTD (VG) 2011-01-26 EP disclosed
EP-1832596-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acids and other components CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP disclosed