SCHEMBL8528475

SCHEMBL8528475

CCCCCC(O)C(C)=CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
MAPT P10636 2/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CETP P11597 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL29473911 0.80 GPR84 (0.47) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL112320 0.80 GPR84 (0.47) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL10457057 0.78 GPR84 (0.50) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL10907236 0.78 GPR84 (0.50) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL10457066 0.78 GPR84 (0.50) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL10457067 0.78 GPR84 (0.50) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL10457058 0.78 GPR84 (0.50) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL10907234 0.78 GPR84 (0.50) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL3946030 0.78 GPR84 (0.58) GPR84FFAR1MAPTTRPA1DDAH1
SCHEMBL1783428 0.77 GPR84 (0.53) GPR84FFAR1MAPTTRPA1DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed