SCHEMBL2789088

SCHEMBL2789088

O=S(=O)(O)c1ccc2[c]c(O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CASP6 P55212 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
NT5E P21589 3/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.38
NSD2 O96028 3/20 0.38
CYP1A2 P05177 3/20 0.38
HIF1A Q16665 2/20 0.38
SNCA P37840 2/20 0.37
DUSP3 P51452 2/20 0.37
PTPN5 P54829 2/20 0.37
PTPN11 Q06124 2/20 0.37
PRMT1 Q99873 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6630604 0.87 ALDH1A1 (0.42) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL6632668 0.85 HSD17B10 (0.44) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL10431519 0.82 ALDH1A1 (0.49) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL9618721 0.79 CTRB1 (0.38) ALDH1A1HSD17B10CYP2C9CYP2C19MEN1
SCHEMBL6631715 0.79 CTRB1 (0.38) ALDH1A1HSD17B10CYP2C9CYP2C19MEN1
SCHEMBL10431585 0.76 SNCA (0.51) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL6632057 0.76 ALDH1A1 (0.49) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL1713483 0.72 ALDH1A1 (0.45) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL27999221 0.72 ALDH1A1 (0.56) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
SCHEMBL8987289 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100154879-A1 Dye-Sensitized Solar Cell, Photo-Sensitized Anode Electrode Thereof, and Method of Manufacturing the Same TAIWAN TEXTILE RESEARCH INSTITUTE (TW) 2010-06-24 US disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
EP-0765965-B1 Process for deying synthetic fibrous polyamid materials DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-06-04 EP disclosed
EP-0765918-B1 Reactive dye preparations DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-07-28 EP disclosed
US-5810890-A USING SPECIFIED MIXTURE OF DYES; INCREASED BRIGHTNESS AND LEVELNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-22 US disclosed
US-5803930-A MIXTURE OF TWO DIFFERENT WATER SOLUBLE DYES; DYEING SYNTHETIC POLYAMIDES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-09-08 US disclosed
EP-0765918-A2 Reactive dye preparations DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0765965-A2 Process for deying synthetic fibrous polyamid materials DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1997-04-02 EP disclosed
EP-0362734-B1 Silver halide photographic light-sensitive material KONISHIROKU PHOTO IND (JP) 1996-03-27 EP disclosed
US-4996138-A Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1991-02-26 US disclosed
EP-0362734-A2 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1990-04-11 EP disclosed