SCHEMBL17425629

SCHEMBL17425629

Bc1ccccc1-c1ccccc1[PH](=O)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.33
PTPN1 P18031 1/20 0.31
LRRK2 Q5S007 1/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
PARK7 Q99497 1/20 0.30

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
SCHEMBL19011942 0.81 PTPN1 (0.32) S100A4PTPN1LRRK2GFERKDM4E
SCHEMBL31106290 0.71 POLB (0.42) KDM4EALDH1A1CYP3A4HPGD
SCHEMBL4924998 0.71 F2 (0.38) KDM4EALDH1A1HPGD
SCHEMBL5159497 0.71 TRPM8 (0.37) KDM4EALDH1A1HPGD
SCHEMBL780289 0.71 TDP1 (0.36) KDM4EALDH1A1
SCHEMBL31106292 0.68 LMNA (0.43) ALDH1A1HPGD
SCHEMBL28597418 0.68 KDM4E (0.38) KDM4EALDH1A1HPGD
SCHEMBL13751771 0.67 MEN1 (0.39) S100A4KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL11851385 0.66 MAOB (0.40) ALDH1A1CYP1A2HPGD
SCHEMBL20090416 0.65 MEN1 (0.43) KDM4EMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129744-B1 DOPO FLAME RETARDANT COMPOSITIONS BASF SE (DE) 2016-01-13 EP disclosed