SCHEMBL9315282

SCHEMBL9315282

CCOc1cccc(C=O)c1OS(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HCRTR1 O43613 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL10500654 0.85 ALDH1A1 (0.65) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL3446390 0.81 LMNA (0.40) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL181586 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL29922833 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL1253039 0.76 CA1 (0.54) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL10682460 0.76 ALDH1A1 (1.00) ALDH1A1LMNAHTTKMT2AMEN1
Benzene SCHEMBL28241676 0.76 ALDH1A1 (0.70) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL28228828 0.75 LMNA (0.47) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL9315287 0.75 TLR2 (0.50) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL31401930 0.74 ALDH1A1 (0.73) ALDH1A1LMNAHTTKMT2AMEN1

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-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed
US-5131911-A Hair dyes L'OREAL (FR) 1992-07-21 US disclosed