SCHEMBL6212929

SCHEMBL6212929

CCCCCCCCCCCCc1ccc(COS(=O)(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ADRA2A P08913 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TACR2 P21452 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
SHBG P04278 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
HSPD1 P10809 1/20 0.58
ADRB3 P13945 1/20 0.58
HTR2C P28335 1/20 0.58
HSPE1 P61604 1/20 0.58
HIF1A Q16665 1/20 0.58
TST Q16762 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL6212926 0.86 ALDH1A1 (0.56) ESR1ADRA2AADORA3TACR2SLC6A2
4-Nonylphenol SCHEMBL28956732 0.86 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
4-Octylphenol SCHEMBL8403638 0.86 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6287939 0.85 ESR1 (0.55) ESR1ADRA2AADORA3TACR2SLC6A2
Alcohol SCHEMBL11264819 0.84 ESR1 (0.54) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6279329 0.83 CA2 (0.54) ESR1ADRA2AADORA3TACR2SLC6A2
4-Nonylphenol SCHEMBL2183411 0.81 PTGS2 (0.81) ESR1ADRA2AADORA3TACR2SLC6A2
Sulfuric Acid SCHEMBL11228881 0.81 PTGS2 (0.81) ESR1ADRA2AADORA3TACR2SLC6A2
4-Octylphenol SCHEMBL7643105 0.81 PTGS2 (0.81) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL17772833 0.80 MEN1 (0.62) ALDH1A1LMNACYP3A4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100474110-C Selected acid generators and their use in radiation-sensitive element imaging processes EASTMAN KODAK CO (US) 2009-04-01 CN disclosed
CN-1656426-A Selected acid generators and their use in radiation-sensitive element imaging processes KODAK POLYCHROME GRAPHICS LLC (US) 2005-08-17 CN disclosed
EP-1508072-A2 ACID GENERATING AGENTS AND THEIR USE IN PROCESSES FOR IMAGING RADIATION-SENSITIVE ELEMENTS Kodak Polychrome Graphics LLC (US) 2005-02-23 EP disclosed
US-6787281-B2 SUCH AS 2-METHOXY-4-(PHENYLAMINO)-BENZENEDIAZONIUM DODECYL SULFATE (MSDS), WHICH DOES NOT CONTAIN OZONE DEPLETION ELEMENTS (FLUORINE, HEAVY METALS); POLLUTION CONTROL; LITHOGRAPHY KODAK POLYCHROME GRAPHICS LLC 2004-09-07 US disclosed
WO-2004036314-A2 ACID GENERATING AGENTS AND THEIR USE IN PROCESSES FOR IMAGING RADIATION-SENSITIVE ELEMENTS KODAK POLYCHROME GRAPHICS LLC (US) 2004-04-29 WO disclosed
US-20030219673-A1 Selected acid generating agents and their use in processes for imaging radiation-sensitive elements FPC INC. 2003-11-27 US disclosed