SCHEMBL8022997

SCHEMBL8022997

CN(C)CCCCCCCCCCC(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
ESR1 P03372 2/20 0.54
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
ELANE P08246 1/20 0.44

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
Bromide SCHEMBL9509023 0.98 PRSS1 (0.55) PRSS1PRSS2PRSS3ESR1ALDH1A1
Hydrochloric Acid SCHEMBL7140866 0.98 PRSS1 (0.55) PRSS1PRSS2PRSS3ESR1ALDH1A1
SCHEMBL3680357 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL21879662 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL3165609 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL25297232 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL5161147 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL20564639 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL1531270 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2
SCHEMBL43568 0.86 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2

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-1929920-A Use of metal complex compounds comprising pyridine, pyrimidine or S-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and H2O2 CIBA SC HOLDING AG (CH) 2007-03-14 CN disclosed
CN-1273597-A Detergent compositions containing polyethyleneimine for enhanced peroxygen bleach stability UNILEVER PLC (NL) 2000-11-15 CN disclosed
EP-0973855-A1 BLEACH COMPOSITIONS CONTAINING METAL BLEACH CATALYST, AND BLEACH ACTIVATORS AND/OR ORGANIC PERCARBOXYLIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2000-01-26 EP disclosed
EP-0966323-A1 CATALYSTS AND METHODS FOR CATALYTIC OXIDATION The University of Kanses (US) 1999-12-29 EP disclosed
WO-1998039098-A1 CATALYSTS AND METHODS FOR CATALYTIC OXIDATION THE UNIVERSITY OF KANSAS (US) 1998-09-11 WO disclosed
WO-1998039405-A1 BLEACH COMPOSITIONS CONTAINING METAL BLEACH CATALYST, AND BLEACH ACTIVATORS AND/OR ORGANIC PERCARBOXYLIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 1998-09-11 WO disclosed