SCHEMBL5852243

SCHEMBL5852243

CCC(C(=O)O)c1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP1A2 P05177 2/20 0.46
AKR1C3 P42330 12/20 0.44
AKR1C2 P52895 12/20 0.44
AKR1C1 Q04828 3/20 0.43
AKR1B10 O60218 2/20 0.43
AKR1C4 P17516 2/20 0.43
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSPA5 P11021 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
PTGS1 P23219 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 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
SCHEMBL1278249 0.91 LMNA (0.46) CYP2C9CYP2C19CYP1A2AKR1C3AKR1C2
SCHEMBL30040652 0.84 CYP1A2 (0.42) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL7257754 0.82 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL27283013 0.82 CYP2C9 (0.46) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL11689866 0.81 CYP2C9 (0.52) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL7108121 0.80 CYP1A2 (0.50) CYP2C9CYP2C19CYP1A2AKR1C3AKR1C2
SCHEMBL8987705 0.80 CYP1A2 (0.50) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL8987698 0.80 CYP1A2 (0.50) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL283603 0.80 CYP1A2 (0.50) CYP2C9CYP2C19CYP1A2AKR1C3AKR1C2
SCHEMBL29408356 0.80 CYP1A2 (0.50) CYP2C9CYP2C19CYP1A2AKR1C3AKR1C2

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 5 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
US-20040171722-A1 Flame retardant polyurethanes and additive compositions for use in producing them ALBEMARLE CORPORATION 2004-09-02 US disclosed