SCHEMBL5852173

SCHEMBL5852173

CCc1ccc(OP(=O)(O)Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
CYP2C19 P33261 1/20 0.70
BLM P54132 1/20 0.46
SRC P12931 1/20 0.44
POLB P06746 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PLK1 P53350 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL11511370 0.86 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19BLMSRCPOLB
SCHEMBL1101448 0.86 CYP2C19 (0.72) SMN1; SMN2CYP2C19BLMSRCPOLB
SCHEMBL2150400 0.86 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19BLMSRCPOLB
SCHEMBL3755582 0.86 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19BLMSRCPOLB
SCHEMBL9485955 0.85 SRC (0.48) SMN1; SMN2CYP2C19BLMSRCKMT2A
SCHEMBL27375427 0.84 CYP2C19 (0.70) SMN1; SMN2CYP2C19BLMSRCPOLB
Hydrochloric Acid SCHEMBL28980283 0.84 CYP2C19 (0.70) SMN1; SMN2CYP2C19BLMSRCPOLB
SCHEMBL24763321 0.82 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19BLMSRCPOLB
SCHEMBL1413702 0.81 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19BLMSRCPOLB
SCHEMBL11510266 0.79 CYP2C19 (0.54) SMN1; SMN2CYP2C19SRCPOLBMAPT

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