SCHEMBL9733409

SCHEMBL9733409

CC=COc1ccccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
HTR6 P50406 1/20 0.36
ELANE P08246 1/20 0.34
KMT2A Q03164 2/20 0.33
TTR P02766 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
NFE2L2 Q16236 3/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
GAA P10253 1/20 0.32
ESR2 Q92731 1/20 0.32
KCNH2 Q12809 1/20 0.32
MPL P40238 1/20 0.31

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
SCHEMBL9733401 1.00 MYC (0.39) MYCHTR6ELANEKMT2ATTR
SCHEMBL9733094 0.82 CA2 (0.42) HTR6CA1CA2CA5ACA9
SCHEMBL9733101 0.82 CA2 (0.42) HTR6CA1CA2CA5ACA9
SCHEMBL28686688 0.80 HTR6 (0.53) HTR6KMT2ATSHRALDH1A1LMNA
SCHEMBL27824775 0.79 MYC (0.38) MYCHTR6ELANEKMT2ATTR
SCHEMBL27957388 0.78 MYC (0.37) MYCHTR6ELANEKMT2ATTR
SCHEMBL2723950 0.78 MYC (0.37) MYCHTR6ELANEKMT2ATTR
SCHEMBL8356271 0.77 HSD17B10 (0.38) MYCHTR6ELANEKMT2ATTR
SCHEMBL28440193 0.76 MYC (0.36) MYCHTR6ELANEKMT2ATTR
Bromide SCHEMBL11100956 0.76 MYC (0.36) MYCHTR6ELANEKMT2ATTR

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
US-5096917-A Antiallergens; treatment of asthma, hay fever, genetic disorders CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed