SCHEMBL1767335

SCHEMBL1767335

CCCCC(C)[C@@H]1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CYP1A2 P05177 2/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
MMP1 P03956 1/20 0.31
MMP7 P09237 1/20 0.31
MMP12 P39900 1/20 0.31
ECE1 P42892 1/20 0.31
MMP13 P45452 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8032810 1.00 CYP2D6 (0.37) CYP2D6ALDH1A1MAPTCA1CA2
SCHEMBL1472064 0.95 CYP2D6 (0.36) CYP2D6ALDH1A1CYP1A2
SCHEMBL13548376 0.90 CYP2D6 (0.41) CYP2D6ALDH1A1CA1CA2CA4
SCHEMBL30636633 0.90 CYP2D6 (0.41) CYP2D6ALDH1A1CA1CA2CA4
SCHEMBL11904413 0.89 CYP2D6 (0.39) CYP2D6ALDH1A1MAPTCA1CA2
SCHEMBL486895 0.88 CYP2D6 (0.40) CYP2D6ALDH1A1CA1CA2CA4
SCHEMBL3726325 0.84 CYP2D6 (0.44) CYP2D6ALDH1A1MAPTCA1CA2
SCHEMBL4740930 0.82 CYP2D6 (0.43) CYP2D6ALDH1A1MAPTCA1CA2
SCHEMBL10453942 0.81 CYP2D6 (0.44) CYP2D6ALDH1A1MAPTCA1CA2
SCHEMBL13104108 0.81 CYP2D6 (0.44) CYP2D6ALDH1A1MAPTCA1CA2

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
EP-2323513-A1 SWEAT-ABSORBING SHOE SOLE INSERTS HAVING IMPROVED SWEAT ABSORPTION Evonik Degussa GmbH (DE) 2011-05-25 EP disclosed
WO-2010003789-A1 SWEAT-ABSORBING SHOE SOLE INSERTS HAVING IMPROVED SWEAT ABSORPTION EVONIK DEGUSSA GMBH (DE) 2010-01-14 WO disclosed
EP-1948702-A2 USE AND APPLICATION OF DEFINED ZWITTERIONIC COPOLYMER The Procter and Gamble Company (US) 2008-07-30 EP disclosed
WO-2007057865-A2 USE AND APPLICATION OF DEFINED ZWITTERIONIC COPOLYMER THE PROCTER & GAMBLE COMPANY (US) 2007-05-24 WO disclosed