SCHEMBL11619798

SCHEMBL11619798

Cc1cccc(C(=O)O)c1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
ALOX15 P16050 2/20 0.55
MYC P01106 1/20 0.50
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
AKR1B10 O60218 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
DHFR P00374 1/20 0.45
LMNA P02545 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM1 P11229 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
Benzene SCHEMBL10638262 0.86 ALOX15 (0.59) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL65889 0.86 ALOX15 (0.59) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL5083560 0.85 BRPF1 (0.42) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL27549564 0.84 ALOX15 (0.58) ALDH1A1KDM4EHPGDHSD17B10ALOX15
Phosphine SCHEMBL3135561 0.84 ALOX15 (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
Phosphine SCHEMBL3820807 0.84 ALOX15 (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL143947 0.84 ALOX15 (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL3781304 0.84 ALOX15 (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
Ammonia Solution, Strong SCHEMBL3299235 0.84 ALOX15 (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL812165 0.84 ALOX15 (0.57) ALDH1A1KDM4EHPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076721-A FROM PHOSGENE AND POTASSIUM OR CALCIUM METHYL BENZOATE-O-SULFONATE, AMMONIA, DMF IHARA CHEMICAL INDUSTRY CO., LTD. (JA) 1978-02-28 US claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US disclosed
EP-1491590-B1 Triphenylmethane colorant compounds and phase change inks containing the same XEROX CORP (US) 2008-08-20 EP disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US disclosed
US-7301025-B2 N-(2-(2-(alkyl[carbamoyl, carbonyloxy or ureido]alkyl)pyridinium)-5-(carboxy or sulfo)phenyl-8-((2-(N-alkyl[carbamoyl or ureido]alkyl)pyridinyl) xanthene ligands complexed with a metal or metal-containing moiety; magenta dye with improved heat resistance; hot melts or phase change inks XEROX CORPORATION (US) 2007-11-27 US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 US disclosed
US-4076721-A FROM PHOSGENE AND POTASSIUM OR CALCIUM METHYL BENZOATE-O-SULFONATE, AMMONIA, DMF IHARA CHEMICAL INDUSTRY CO., LTD. (JA) 1978-02-28 US disclosed
US-4076721-A FROM PHOSGENE AND POTASSIUM OR CALCIUM METHYL BENZOATE-O-SULFONATE, AMMONIA, DMF IHARA CHEMICAL INDUSTRY CO., LTD. (JA) 1978-02-28 US disclosed