SCHEMBL6903381

SCHEMBL6903381

CC(=O)C1([N+](=O)[O-])C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.33
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3389680 0.89 POLB (0.33) POLBMAPK1CES2CES1
SCHEMBL31121575 0.86 POLB (0.31) FBP1POLBMAPK1CES2CES1
SCHEMBL27687113 0.79 NPSR1 (0.38)
Bicarbonate SCHEMBL21906199 0.78 MAPK1 (0.36) POLBMAPK1CES2CES1MAPT
SCHEMBL5983434 0.77 CRHBP (0.33) FBP1POLBMAPK1
SCHEMBL27473249 0.77 ALDH1A1 (0.33) FBP1POLBMAPK1MAPTSMN1; SMN2
SCHEMBL5479512 0.76 MAPT (0.35) MAPK1MAPTSMN1; SMN2
SCHEMBL8655837 0.76 ALDH1A1 (0.35) FBP1POLBMAPK1MAPTLMNA
SCHEMBL28022362 0.75 KCNA4 (0.33) FBP1LMNA
SCHEMBL2422559 0.74 ABCC1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100528329-C Microencapsulated catalysts, methods of their preparation and methods of use AVECIA LTD (GB) 2009-08-19 CN disclosed
CN-1525881-A Microencapsulated catalysts, methods of their preparation and methods of use 2004-09-01 CN disclosed
EP-1409125-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF Avecia Limited (GB) 2004-04-21 EP disclosed
WO-2003006151-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF AVECIA LIMITED (GB) 2003-01-23 WO disclosed