SCHEMBL5466868

SCHEMBL5466868

CCCCOP(=O)(O)OCCCN

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
LPAR3 Q9UBY5 5/20 0.50
LPAR1 Q92633 3/20 0.50
LPAR2 Q9HBW0 3/20 0.50
GABBR2 O75899 2/20 0.50
GABBR1 Q9UBS5 2/20 0.50
GABRR1 P24046 1/20 0.50
ITPR3 Q14573 1/20 0.47
ITPR1 Q14643 1/20 0.47
PLA2G2C Q5R387 1/20 0.44
P2RY10 O00398 4/20 0.41
GPR34 Q9UPC5 2/20 0.41

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
Butylamine SCHEMBL9496273 0.96 CYP3A4 (0.52) CYP3A4LPAR3LPAR1LPAR2GABBR2
Dodecylamine SCHEMBL10421804 0.92 LPAR3 (0.57) CYP3A4LPAR3LPAR1LPAR2PLA2G2C
Octadecylamine SCHEMBL9494998 0.92 LPAR3 (0.57) CYP3A4LPAR3LPAR1LPAR2PLA2G2C
SCHEMBL9499065 0.92 LPAR3 (0.57) CYP3A4LPAR3LPAR1LPAR2PLA2G2C
Tetradecylamine SCHEMBL28985691 0.92 LPAR3 (0.57) CYP3A4LPAR3LPAR1LPAR2PLA2G2C
Hexadecylamine SCHEMBL28985677 0.92 LPAR3 (0.57) CYP3A4LPAR3LPAR1LPAR2PLA2G2C
SCHEMBL27619065 0.92 LPAR3 (0.62) LPAR3LPAR1LPAR2GABBR2GABBR1
Dodecylamine SCHEMBL28985670 0.90 LPAR3 (0.60) CYP3A4LPAR3LPAR1LPAR2PLA2G2C
SCHEMBL20169135 0.90 LPAR3 (0.55) CYP3A4LPAR3LPAR1LPAR2GABBR2
Hexadecylamine SCHEMBL28985683 0.90 LPAR3 (0.60) CYP3A4LPAR3LPAR1LPAR2PLA2G2C

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
US-20070210476-A1 Machinable Resin Molded Product, Material For Forming The Same, And Model Made Of The Same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-13 US disclosed
EP-1728832-A1 MOLDING OF RESIN FOR CUTTING OPERATION, MATERIAL FOR FORMATION THEREOF AND MODEL Sanyo Chemical Industries, Ltd. (JP) 2006-12-06 EP disclosed