SCHEMBL11141968

SCHEMBL11141968

N#Cc1ccc2cc(S(=O)(=O)O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP6 P55212 1/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
KAT6A Q92794 1/20 0.45
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
RAD51 Q06609 1/20 0.40

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
SCHEMBL300937 0.82 SNCA (0.62) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL30233294 0.82 SNCA (0.62) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL305423 0.82 SNCA (0.62) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL8114178 0.81 TRPV4 (0.46) F2PLGPLAUKLKB1PRSS1
SCHEMBL23909604 0.81 CA1 (0.59) ALDH1A1PTPN1PTPN2CA1CA2
SCHEMBL1894004 0.80 CA2 (0.55) ALDH1A1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL9252711 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL1416021 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL3101290 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL3824024 0.80 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374262-A Preparation of hydroxy aromatic carboxylic acids and ester derivatives thereof CELANESE CORPORATION (US) 1983-02-15 US disclosed
EP-0049616-A1 Preparation of hydroxy aromatic carboxylic acids and ester derivatives thereof CELANESE CORPORATION (US) 1982-04-14 EP disclosed