SCHEMBL27619065

SCHEMBL27619065

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCN

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.62
LPAR2 Q9HBW0 6/20 0.62
LPAR1 Q92633 3/20 0.62
PLA2G2C Q5R387 1/20 0.52
GABBR2 O75899 1/20 0.47
GABRR1 P24046 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
P2RY10 O00398 5/20 0.47
GPR34 Q9UPC5 2/20 0.46
ITPR3 Q14573 1/20 0.45
ITPR1 Q14643 1/20 0.45
DNM1 Q05193 2/20 0.44

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
SCHEMBL9300601 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
Dodecylamine SCHEMBL17472938 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
SCHEMBL9301085 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
SCHEMBL10885700 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
SCHEMBL9496121 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
Octadecylamine SCHEMBL9496217 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
Dodecylamine SCHEMBL8393557 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
Dodecylamine SCHEMBL10887166 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
SCHEMBL22221628 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1
Dodecylamine SCHEMBL9495208 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1PLA2G2CDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1639311-B Mixtures of quaternary compounds CRODA INC 2010-05-12 CN claimed
CN-1639311-B Mixtures of quaternary compounds CRODA INC 2010-05-12 CN disclosed
CN-1861038-A Skin treatment articles and methods JOHNSON & JOHNSON CONSUMER (US) 2006-11-15 CN disclosed
CN-1639311-A Mixtures of quaternary compounds CRODA INC (US) 2005-07-13 CN disclosed