SCHEMBL4730901

SCHEMBL4730901

COc1ccc(C(C=O)OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.43
ACHE P22303 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.43
PKM P14618 2/20 0.42
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4731994 0.84 ACHE (0.39) ALDH1A1KMT2AACHEMEN1LMNA
SCHEMBL4733846 0.84 UTS2R (0.40) ALDH1A1KMT2AACHEMEN1MAPT
SCHEMBL4731501 0.84 CHRM2 (0.44) ALDH1A1ACHEMAPTLMNASMN1; SMN2
SCHEMBL4729274 0.84 LMNA (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4733624 0.84 VDR (0.42) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL1823501 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4732119 0.80 AR (0.54) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL4728806 0.80 HTT (0.43) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL4731661 0.79 CA1 (0.42) ALDH1A1KMT2AACHENPC1RAB9A
SCHEMBL4731596 0.76 TUBB4A (0.42) ALDH1A1KMT2AMEN1MAPTLMNA

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
WO-2008054155-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 WO disclosed