SCHEMBL5015029

SCHEMBL5015029

CCCCCCCCCCCCSP(=S)(OCCC)OCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.44
LPAR2 Q9HBW0 10/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LPAR1 Q92633 6/20 0.37
LPAR6 P43657 3/20 0.34
LPAR4 Q99677 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34

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
SCHEMBL28359116 0.92 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL1050408 0.92 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL1044782 0.92 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL28355615 0.92 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL28359216 0.92 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL6691428 0.92 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL1050405 0.92 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL252445 0.90 LPAR3 (0.50) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL28844504 0.86 LPAR3 (0.52) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10
SCHEMBL8997333 0.86 ALDH1A1 (0.57) LPAR3LPAR2ALDH1A1CYP3A4HSD17B10

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
US-4116874-A AROMATIC AMINE, ALKYLPHENOL, TRIESTER OF DITHIOPHOSPHORIC ACID NIPPON OIL CO., LTD. (JP) 1978-09-26 US claimed
US-20080312112-A1 Lubricating formulations for dispersancy and temperature, friction, and wear reduction LYON DEVELOPMENT CORPORATION 2008-12-18 US disclosed
US-4116874-A AROMATIC AMINE, ALKYLPHENOL, TRIESTER OF DITHIOPHOSPHORIC ACID NIPPON OIL CO., LTD. (JP) 1978-09-26 US disclosed