SCHEMBL9320336

SCHEMBL9320336

CCCCCCCCCCC(C)NCCOP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.56
LPAR1 Q92633 6/20 0.56
LPAR2 Q9HBW0 4/20 0.56
SMPD1 P17405 3/20 0.47
ENPP2 Q13822 1/20 0.47
LPAR5 Q9H1C0 1/20 0.44
S1PR2 O95136 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 1/20 0.43
FDPS P14324 3/20 0.43
PLA2G4A P47712 1/20 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
SCHEMBL10830869 0.83 LPAR3 (0.64) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL5595614 0.77 S1PR2 (0.50) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL30148485 0.77 LPAR3 (0.63) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL11150984 0.77 LPAR3 (0.63) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL10661398 0.77 LPAR3 (0.75) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL28839224 0.77 LPAR3 (0.63) LPAR3LPAR1LPAR2SMPD1LPAR5
Hexane SCHEMBL27835751 0.77 LPAR3 (0.75) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL5595616 0.77 S1PR2 (0.50) LPAR3LPAR2S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL5595645 0.76 S1PR2 (0.49) LPAR3LPAR2S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL5595549 0.76 S1PR2 (0.49) LPAR3LPAR2S1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390216-B1 Metallic pigment composition and water borne coating composition thereof NIPPON PAINT CO LTD (JP) 1994-01-12 EP disclosed
US-5057156-A Containing phosphorous compound NIPPON PAINT CO., LTD. (JP) 1991-10-15 US disclosed
EP-0390216-A2 Metallic pigment composition and water borne coating composition thereof NIPPON PAINT CO., LTD. (JP) 1990-10-03 EP disclosed