SCHEMBL6449401

SCHEMBL6449401

CCc1nccnc1CC=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
Formamide SCHEMBL27614973 0.83 PDE3B (0.36) PDE3BPDE3A
SCHEMBL1131513 0.82 PDE3B (0.39) PDE3BPDE3A
SCHEMBL34472956 0.82 PDE3B (0.39) PDE3BPDE3A
SCHEMBL11213548 0.79 PDE3B (0.31) PDE3BPDE3A
Ammonia Solution, Strong SCHEMBL28980458 0.79 PDE3B (0.38) PDE3BPDE3A
SCHEMBL6443739 0.76 KDM4E (0.32) ALDH1A1
SCHEMBL29954185 0.74 PDE3B (0.34) PDE3BPDE3A
SCHEMBL3931270 0.74 PDE3B (0.34) PDE3BPDE3A
SCHEMBL28865690 0.72 PDE3B (0.34) PDE3BPDE3A
SCHEMBL26677644 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931234-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter and Gamble Company (US) 2015-10-21 EP claimed
EP-2931236-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter & Gamble Company (US) 2015-10-21 EP claimed
WO-2014093819-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
WO-2014093747-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
EP-2931854-A1 FRAGRANCE MATERIALS The Procter & Gamble Company (US) 2015-10-21 EP disclosed
EP-2931234-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter and Gamble Company (US) 2015-10-21 EP disclosed
EP-2931236-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter & Gamble Company (US) 2015-10-21 EP disclosed
WO-2014093807-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO disclosed
WO-2014093819-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO disclosed
WO-2014093747-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO disclosed
EP-1539722-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
WO-2004014884-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed