SCHEMBL11577236

SCHEMBL11577236

CCOc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1785981 0.86 MEN1 (0.47) MAPTPOLBMAPK1TDP1GAA
SCHEMBL8347090 0.85 PLA2G4B (0.51) MAPTAKR1C3AKR1C2AKR1C1NPSR1
SCHEMBL1784674 0.84 LMNA (0.53) MAPTTSHRMAPK1TDP1AKR1C3
SCHEMBL28720949 0.83 TSHR (0.68) MAPTTSHRPOLBHSD17B10GAA
SCHEMBL28721663 0.83 TSHR (0.48) MAPTTSHRPOLBHSD17B10GAA
SCHEMBL11611705 0.83 MAPT (0.44) MAPTTSHRPOLBMAPK1TDP1
SCHEMBL7375557 0.83 TSHR (0.48) MAPTTSHRPOLBMAPK1TDP1
Hydrochloric Acid SCHEMBL11778515 0.82 LMNA (0.52) MAPTTSHRMAPK1TDP1AKR1C3
SCHEMBL1645081 0.82 TSHR (0.53) MAPTTSHRPOLBMAPK1HSD17B10
SCHEMBL8887345 0.82 LMNA (0.49) MAPTPOLBMAPK1GAAKDM4E

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
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-4066456-A COLOR PHOTOGRAPHIC FILMS GAF CORPORATION (US) 1978-01-03 US disclosed