SCHEMBL6704543

SCHEMBL6704543

O=S(=O)(c1ccccc1)c1ccccc1OCC1CO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
PKM P14618 2/20 0.55
GAA P10253 1/20 0.55
GLA P06280 1/20 0.54
HTR6 P50406 4/20 0.51
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL11129204 0.91 ALDH1A1 (0.60) ALDH1A1LMNAPKMGAAGLA
SCHEMBL6680215 0.89 ALDH1A1 (0.50) ALDH1A1LMNAPKMGAAGLA
SCHEMBL10432131 0.88 ALDH1A1 (0.46) ALDH1A1LMNAPKMGAAGLA
SCHEMBL8046984 0.86 ALDH1A1 (0.57) ALDH1A1LMNAPKMGAAGLA
SCHEMBL8431130 0.83 ALDH1A1 (0.52) ALDH1A1LMNAPKMGAAGLA
SCHEMBL6245211 0.82 ALDH1A1 (0.61) ALDH1A1LMNAPKMGAAGLA
SCHEMBL6245216 0.82 ALDH1A1 (0.61) ALDH1A1LMNAPKMGAAGLA
SCHEMBL10561536 0.82 ALDH1A1 (0.57) ALDH1A1LMNAPKMGAAGLA
Phosphine SCHEMBL9787420 0.81 ALDH1A1 (0.55) ALDH1A1LMNAPKMGAAGLA
Phosphine SCHEMBL9787417 0.81 ALDH1A1 (0.55) ALDH1A1LMNAPKMGAAGLA

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
JP-6316162-A None JP disclosed
JP-2004091481-A METHOD OF MANUFACTURING 2,3-EPOXYPROPYLOXYDIPHENYLSULFONE DERIVATIVE NIPPON SODA CO LTD 2004-03-25 JP disclosed
JP-H06316162-A THERMAL RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1994-11-15 JP disclosed