SCHEMBL4624904

SCHEMBL4624904

CCCCN(CCCC)OP(O)(O)=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 13/20 0.43
LPAR2 Q9HBW0 11/20 0.43
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
LPAR1 Q92633 8/20 0.36
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
LPAR6 P43657 3/20 0.33
LPAR4 Q99677 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 2/20 0.33
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL11857741 0.91 LPAR3 (0.41) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL1230592 0.77 MMP1 (0.47) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL8913971 0.77 LPAR3 (0.39) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL2870085 0.71 CYP3A4 (0.42) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL6679361 0.71 LPAR3 (0.47) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL9193462 0.71 MMP1 (0.41) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL3960181 0.70 MMP1 (0.43) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL3960177 0.70 MMP1 (0.43) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL7115233 0.70 S1PR2 (0.48) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL10874339 0.70 LPAR3 (0.50) LPAR3LPAR2LPAR1S1PR2S1PR1

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-1114858-B1 Preparation of lubricant additives with reduced unpleasant odor AFTON CHEMICAL INTANGIBLES LLC (US) 2008-05-07 EP disclosed
EP-1114858-A2 Preparation of lubricant additives with reduced unpleasant odor ETHYL CORPORATION (US) 2001-07-11 EP disclosed
US-6133207-A COMBINING OXIDIZABLE PHOSPHORUS COMPOUND AND ALKYLAMINE WITH SOURCE OF REACTIVE SULFUR TO PARTIALLY OXIDIZE, ADDING COMPOUND THAT GENERATES ODOR ETHYL CORPORATION (US) 2000-10-17 US disclosed