SCHEMBL7733418

SCHEMBL7733418

CC(C)(C)CCCCCCCCCCCCCCCCCN.CC(C)(C)CCCCCCCCCCCCCCCCCN.CCCCCCCCCCCCCCCCCCOP(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.64
LPAR1 Q92633 6/20 0.64
LPAR2 Q9HBW0 5/20 0.64
SMPD1 P17405 5/20 0.47
FDPS P14324 2/20 0.47
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
LPAR5 Q9H1C0 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
SCHEMBL7735902 1.00 LPAR3 (0.64) LPAR3LPAR1LPAR2SMPD1FDPS
Phosphoric Acid Monododecyl Ester SCHEMBL29141381 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
SCHEMBL31325194 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
Phosphoric Acid Monododecyl Ester SCHEMBL27697590 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
Dodecylamine SCHEMBL11409294 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
Phosphoric Acid Monodecyl Ester SCHEMBL9301614 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
SCHEMBL31325192 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
Dodecylamine SCHEMBL11414762 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
Octadecylamine SCHEMBL31590795 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5
Phosphoric Acid Monododecyl Ester SCHEMBL10956092 0.89 LPAR3 (0.81) LPAR3LPAR1LPAR2LPAR5

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
US-6436855-B1 HIGH-SPEED PROCESSABILITY USED IN WATER-ABSORBING COMMODITIES SUCH AS DISPOSABLE DIAPERS, WIPING CLOTHS, FINISH OF POLYOXYETHYLENE ALKYL ETHER, ORGANIC QUATERNARY AMMONIUM PHOSPHATE, POLYSILOXANE CHISSO CORPORATION (JP) 2002-08-20 US disclosed