SCHEMBL6003033

SCHEMBL6003033

O=P(Cl)(Cl)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BCAT2 O15382 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL14244855 0.86 CYP2A6 (0.44) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL8418473 0.85 GSK3B (0.38) MAPK1TDP1
SCHEMBL11421694 0.84 CYP2A6 (0.39) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL11770352 0.83 GPR84 (0.43) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL11144673 0.81 ALDH1A1 (0.42) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL9635974 0.77 ALDH1A1 (0.42) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL1965079 0.77 ALDH1A1 (0.44) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL11510900 0.77 CYP2A6 (0.44) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL563975 0.77 POLB (0.47) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL30480017 0.77 CA2 (0.35) ALDH1A1

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
EP-1669398-B1 FLAME-RETARDANT PROCESSED RESIN OBTAINED WITH A REACTIVE FLAME RETARDANT FUJI ELECTRIC CO LTD (JP) 2014-01-08 EP disclosed
EP-1669398-A1 REACTIVE FLAME RETARDANT AND FLAME-RETARDANT PROCESSED RESIN OBTAINED WITH THE SAME FUJI ELECTRIC HOLDINGS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-0085391-B1 PHOSPHINIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1986-01-15 EP disclosed
US-4510102-A FUNGICIDE;HERBICIDES;ALKYLALKYLPHOSPHONYL HALIDE STARTING MATERIAL MEIJI SEIKA KAISHA LTD. (JP) 1985-04-09 US disclosed
EP-0085391-A1 Phosphinic acid derivatives and process for preparing the same MEIJI SEIKA KAISHA LTD. (JP) 1983-08-10 EP disclosed