SCHEMBL28846282

SCHEMBL28846282

CCCCCCCCCCCCCCCCCCOP(=O)(CCC)OCCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.55
LPAR2 Q9HBW0 7/20 0.55
LPAR1 Q92633 3/20 0.55
CYP3A4 P08684 1/20 0.46
AKT1 P31749 2/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CDC25A P30304 1/20 0.44
AGTR1 P30556 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
LPAR5 Q9H1C0 1/20 0.42
TERT O14746 1/20 0.41
UCHL3 P15374 1/20 0.41
MAPK14 Q16539 1/20 0.41
FAAH O00519 1/20 0.39

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
SCHEMBL7804477 0.94 LPAR3 (0.56) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL27453510 0.91 CYP3A4 (0.56) LPAR3LPAR2LPAR1CYP3A4
SCHEMBL30631114 0.90 LPAR3 (0.53) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL2184531 0.87 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL7540607 0.87 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL9257620 0.87 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL11671731 0.87 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL5033156 0.87 LPAR3 (0.48) LPAR3LPAR2LPAR1CYP3A4FAAH
SCHEMBL11671572 0.87 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1
SCHEMBL3815174 0.87 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4AKT1

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
CN-114945652-A Friction modifier compounds and related compositions and methods 雅富顿化学公司 2022-08-26 CN claimed
CN-114945652-A Friction modifier compounds and related compositions and methods 雅富顿化学公司 2022-08-26 CN disclosed