SCHEMBL6862811

SCHEMBL6862811

CC(C)(O)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.53
LMNA P02545 2/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
NT5E P21589 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
NR1I2 O75469 1/20 0.41
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL25385169 0.84 LMNA (0.52) HSD11B1LMNAALDH1A1TSHRNT5E
SCHEMBL196750 0.84 ALDH1A1 (0.61) HSD11B1LMNAALDH1A1TSHRNT5E
SCHEMBL2906790 0.84 HSD11B1 (0.65) HSD11B1ALDH1A1GAA
SCHEMBL13239460 0.82 ENPP2 (0.54) HSD11B1ALDH1A1NR1I2
Hydrochloric Acid SCHEMBL1326865 0.82 ALDH1A1 (0.59) HSD11B1LMNAALDH1A1TSHRNT5E
Ammonia Solution, Strong SCHEMBL27721989 0.82 ALDH1A1 (0.59) HSD11B1LMNAALDH1A1TSHRNT5E
SCHEMBL17654706 0.81 LMNA (0.54) HSD11B1LMNAALDH1A1TSHRNT5E
SCHEMBL25384988 0.80 LMNA (0.48) HSD11B1LMNAALDH1A1TSHRNT5E
SCHEMBL18923436 0.80 LMNA (0.48) HSD11B1LMNAALDH1A1TSHRNT5E
SCHEMBL23683356 0.80 LMNA (0.48) HSD11B1LMNAALDH1A1TSHRNT5E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311624-B1 GRANULAR COMPACTS CONTAINING WATERSOLUBLE DYES CIBA SC HOLDING AG (CH) 2004-11-10 EP disclosed
US-6632255-B2 Mixture containing water soluble dye CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-14 US disclosed
EP-1311624-A1 GRANULAR COMPACTS CONTAINING WATERSOLUBLE DYES Ciba SC Holding AG (CH) 2003-05-21 EP disclosed
US-20020032939-A1 Granular compacts HUNTSMAN INTERNATIONAL LLC 2002-03-21 US disclosed
WO-2002016507-A1 GRANULAR COMPACTS CONTAINING WATERSOLUBLE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-28 WO disclosed