SCHEMBL5850892

SCHEMBL5850892

S=P(OCl)(Oc1c(Cl)ccc2ccccc12)Oc1c(Cl)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
HPRT1 P00492 1/20 0.33
PAX8 Q06710 1/20 0.32
LMNA P02545 4/20 0.32
NCEH1 Q6PIU2 1/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.32
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CYP3A4 P08684 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL5850883 0.83 CYP2A6 (0.47) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5852291 0.76 KMT2A (0.34) CYP2A6CYP1A2TSHRLMNASMN1; SMN2
SCHEMBL25273082 0.75 CYP2A6 (0.46) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5852315 0.75 CYP2A6 (0.46) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL10938638 0.74 CYP2A6 (0.58) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL9648939 0.71 CYP2A6 (0.54) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL269051 0.70 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL8153278 0.69 CYP2A6 (0.47) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5673224 0.67 CYP2A6 (0.65) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL7011793 0.67 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR

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-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
US-20050113495-A1 Flame retardant, additive compositions, and flame retardant polyurethanes ALBEMARLE CORPORATION 2005-05-26 US disclosed