SCHEMBL11024893

SCHEMBL11024893

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(OP(=O)(O)O)C(O)CO

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.56
GGPS1 O95749 6/20 0.44
LPAR3 Q9UBY5 4/20 0.44
LPAR1 Q92633 3/20 0.44
LPAR2 Q9HBW0 2/20 0.44
FDPS P14324 9/20 0.43
LPAR5 Q9H1C0 1/20 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
SCHEMBL11021842 1.00 SMPD1 (0.56) SMPD1GGPS1LPAR3LPAR1LPAR2
Monoethanolamine SCHEMBL27867926 0.93 SMPD1 (0.51) SMPD1GGPS1LPAR3LPAR1LPAR2
Monoethanolamine SCHEMBL27656170 0.93 SMPD1 (0.51) SMPD1GGPS1LPAR3LPAR1LPAR2
SCHEMBL2224902 0.88 SMPD1 (0.46) SMPD1GGPS1LPAR3LPAR1LPAR2
SCHEMBL6854212 0.86 SMPD1 (0.44) SMPD1GGPS1LPAR3LPAR1LPAR2
SCHEMBL4394710 0.81 USP2 (0.39) SMPD1GGPS1FDPS
SCHEMBL4945413 0.81 FDPS (0.41) SMPD1GGPS1FDPS
SCHEMBL9115436 0.81 PLA2G2C (0.43) SMPD1GGPS1LPAR3LPAR1LPAR2
SCHEMBL11128168 0.80 LPAR5 (0.52) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL10595432 0.80 LPAR5 (0.52) SMPD1LPAR3LPAR1LPAR2LPAR5

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
EP-0158880-A2 Liposomes with inhalable allergens for treatment of allergies, method for their preparation and pharmaceutical compositions containing them Alergia e Inmunologia Abello, S.A. (ES) 1985-10-23 EP disclosed