SCHEMBL81341

SCHEMBL81341

COCCOCCOC(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 2/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
PGD P52209 2/20 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
SCHEMBL2329737 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NOS3NOS1
SCHEMBL5830956 0.79 KMT2A (0.34) DDAH1MEN1KMT2AALDH1A1CA2
SCHEMBL21877045 0.79 KMT2A (0.34) DDAH1MEN1KMT2AALDH1A1CA2
SCHEMBL28544923 0.78 MEN1 (0.39) DDAH1MEN1KMT2AALDH1A1CA2
SCHEMBL27213086 0.78 ALDH1A1 (0.32) DDAH1ALDH1A1CA2KDM4EPOLB
SCHEMBL29257033 0.78 ALDH1A1 (0.32) DDAH1ALDH1A1CA2KDM4EPOLB
Bicarbonate SCHEMBL27364872 0.77 ALDH1A1 (0.44) MEN1KMT2AALDH1A1CA2TSHR
Bicarbonate SCHEMBL9083427 0.77 ALDH1A1 (0.44) MEN1KMT2AALDH1A1CA2TSHR
SCHEMBL5830472 0.76 SMN1; SMN2 (0.34) DDAH1ALDH1A1CA2KDM4E
SCHEMBL7653761 0.76 SMN1; SMN2 (0.34) DDAH1ALDH1A1CA2KDM4E

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
EP-2276356-A1 WARMING SENSATE COMPOSITION Firmenich S.A. (CH) 2011-01-26 EP claimed
JP-4608499-B2 2011-01-12 JP claimed
WO-2009127992-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2009-10-22 WO claimed
JP-2007516316-A 2007-06-21 JP claimed
EP-1682641-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2006-07-26 EP claimed
WO-2005042680-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2005-05-12 WO claimed