SCHEMBL8041879

SCHEMBL8041879

CP(C)(=O)OCCCCCCOP(C)(C)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.48
LPAR2 Q9HBW0 9/20 0.48
LPAR1 Q92633 4/20 0.48
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CDC25A P30304 1/20 0.38
AGTR1 P30556 1/20 0.38
AKT1 P31749 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
SAT1 P21673 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5491386 0.97 CYP3A4 (0.46) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL5487504 0.90 CYP3A4 (0.46) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL4451412 0.89 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL22034342 0.89 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL4446489 0.89 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL4453696 0.89 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL27845162 0.89 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL27845159 0.89 LPAR3 (0.64) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL28118087 0.86 LPAR3 (0.60) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL16350838 0.84 GABBR2 (0.41) LPAR3LPAR2LPAR1CYP3A4LMNA

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
EP-0699708-B1 Flame retardant polyester moulding compositions TICONA GMBH (DE) 2000-04-19 EP disclosed