SCHEMBL6212926

SCHEMBL6212926

CCCCCCCCCCCCc1ccc(COS(=O)(=O)OCc2ccc(CCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56
HSPE1 P61604 1/20 0.56
HIF1A Q16665 1/20 0.56
TST Q16762 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL6287939 0.88 ESR1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL6212929 0.86 ESR1 (0.58) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL6279329 0.86 CA2 (0.54) ALDH1A1ESR1ADRA2AADORA3TACR2
Alcohol SCHEMBL11264819 0.83 ESR1 (0.54) ALDH1A1ESR1ADRA2AADORA3TACR2
Sulfuric Acid SCHEMBL26106400 0.83 CNR1 (0.44) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL10463150 0.79 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL10463001 0.79 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL9600015 0.79 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8750600 0.79 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL3374603 0.79 CA2 (0.54) ALDH1A1ESR1ADRA2AADORA3TACR2

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