SCHEMBL7872460

SCHEMBL7872460

CCCCCCCC/C=C\CCCCCCCCOP(=O)([O-])OCCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCOP(=O)([O-])OCCCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCCOP(=O)([O-])OCCCCCCCC/C=C\CCCCCCCC.[Fe+3]

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.62
LPAR2 Q9HBW0 7/20 0.62
LPAR1 Q92633 5/20 0.62
CDC25A P30304 2/20 0.60
AKT1 P31749 2/20 0.60
LMNA P02545 1/20 0.60
ESR1 P03372 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
AGTR1 P30556 1/20 0.60
ADRA1A P35348 1/20 0.60
KCNH2 Q12809 1/20 0.60
MEN1 O00255 1/20 0.48
S1PR1 P21453 1/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
TERT O14746 1/20 0.47
UCHL3 P15374 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL29663701 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL7864946 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL29510011 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL29496479 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1CDC25AAKT1
Potassium Ion SCHEMBL7121922 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL4817480 0.96 LPAR3 (0.62) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL8374141 0.92 LPAR3 (0.58) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL8374140 0.92 LPAR3 (0.58) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL3963745 0.89 AKT1 (0.72) LPAR3LPAR2LPAR1CDC25AAKT1
SCHEMBL3958337 0.89 AKT1 (0.72) LPAR3LPAR2LPAR1CDC25AAKT1

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
US-10035908-B1 Process for preparing blends of trans-1,4-polybutadiene and syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2018-07-31 US disclosed
US-6320004-B1 FORMED BY COMBINING (A) A IRON-CONTAINING COMPOUND; (B) AN ORGANOMAGNESIUM COMPOUND; AND (C) A SILYL PHOSPHONATE; POLYMERIZING CONJUGATED DIENE MONOMERS BRIDGESTONE CORPORATION (JP) 2001-11-20 US disclosed