SCHEMBL4450989

SCHEMBL4450989

CC(c1ccccc1)S(=O)(=O)C(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
GMNN O75496 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SRC P12931 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TRPA1 O75762 2/20 0.40
CYP2D6 P10635 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C19 P33261 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
SCHEMBL369243 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL11846946 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL25518782 0.92 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL2020687 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL6725173 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL3398714 0.80 SRC (0.54) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL894171 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL16399485 0.80 LMNA (0.41) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL248500 0.80 SRC (0.54) ALDH1A1KDM4ELMNAGMNNPOLB
SCHEMBL3083627 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAGMNNPOLB

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-1786853-B1 NOVEL FLAME-RETARDANT POLYSTYRENES BROMINE COMPOUNDS LTD (IL) 2009-04-15 EP claimed