SCHEMBL5852206

SCHEMBL5852206

CCCCCCCOP(=S)(Cl)OCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 15/20 0.61
LPAR2 Q9HBW0 13/20 0.61
LPAR1 Q92633 10/20 0.50
LPAR6 P43657 5/20 0.42
LPAR4 Q99677 5/20 0.42
LPAR5 Q9H1C0 5/20 0.42
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CDC25A P30304 1/20 0.40
AGTR1 P30556 1/20 0.40
AKT1 P31749 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL2150299 1.00 LPAR3 (0.61) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL8044300 1.00 LPAR3 (0.61) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL5852225 0.98 LPAR3 (0.58) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL2150345 0.90 CYP3A4 (0.50) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL1290340 0.88 LPAR3 (0.69) LPAR3LPAR2LPAR1
SCHEMBL11861589 0.85 LPAR3 (0.55) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL8942445 0.84 CYP3A4 (0.44) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL11419239 0.83 LPAR3 (0.58) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL258249 0.80 LPAR3 (0.67) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL258188 0.80 LPAR3 (0.67) LPAR3LPAR2LPAR1LPAR6LPAR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153901-B2 Low viscosity flame retardants are the reaction product of a mixed ester of tetrabromophthalic acid with diethylene glycol and propylene glycol with an acid anhydride, organic phosphate, or organic chlorophosphate; minimizing visible scorching of the flexible polyurethane foam during its production ALBEMARLE CORPORATION (US) 2006-12-26 US disclosed
EP-1685176-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2006-08-02 EP disclosed
WO-2005052018-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2005-06-09 WO disclosed
US-20050113495-A1 Flame retardant, additive compositions, and flame retardant polyurethanes ALBEMARLE CORPORATION 2005-05-26 US disclosed