SCHEMBL6005208

SCHEMBL6005208

Pc1ccc(-c2ccccc2)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
AHR P35869 3/20 0.41
CTRC Q99895 2/20 0.41
CYP1A2 P05177 1/20 0.39
CSNK2A1 P68400 2/20 0.38
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.37
CLCN2 P51788 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H2 P55055 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL10596052 0.85 CYP2A6 (0.41) CYP2A6CTRCCYP1A2CSNK2A1BACE1
SCHEMBL381602 0.83 AHR (0.60) CYP2A6AHRCTRCCYP1A2CSNK2A1
SCHEMBL29983843 0.83 AHR (0.60) CYP2A6AHRCTRCCYP1A2CSNK2A1
Water SCHEMBL7043753 0.81 AHR (0.58) CYP2A6AHRCTRCCYP1A2CSNK2A1
SCHEMBL2884227 0.77 CYP2A6 (0.48) CYP2A6AHRCTRCCYP1A2CSNK2A1
SCHEMBL12313785 0.75 CYP2A6 (0.50) CYP2A6CTRCCYP1A2CSNK2A1BACE1
SCHEMBL2879306 0.74 CYP2A6 (0.50) CYP2A6AHRCTRCCYP1A2CSNK2A1
SCHEMBL28963238 0.74 ESR2 (0.45) CYP2A6AHRCTRCCYP1A2CSNK2A1
SCHEMBL28755844 0.74 CYP2A6 (0.44) CYP2A6CTRCCYP1A2CSNK2A1HPGD
SCHEMBL31232634 0.74 ALDH1A1 (0.50) CYP2A6AHRCTRCCYP1A2CSNK2A1

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 3 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
US-4082793-A AROMATIC PHOSPHINIC ACIDS CONTAINING SULFONE LINKAGE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-04-04 US disclosed