SCHEMBL2565402

SCHEMBL2565402

CCCCCCCCCCCCC(C(=O)[O-])(C(CCC(C)O)C(=O)O)[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.38
FFAR1 O14842 1/20 0.38
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
CA1 P00915 2/20 0.35
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
Hydrochloric Acid SCHEMBL6138865 0.77 CA1 (0.40) GPR84CA1
SCHEMBL11787297 0.74 GPR84 (0.35) GPR84FFAR1ACE2MAPTLCK
SCHEMBL98645 0.70 GPR84 (0.33) GPR84FFAR1CA1
SCHEMBL6756058 0.69 CES2 (0.34) GPR84FFAR1CA1MAPT
SCHEMBL98889 0.69 CES2 (0.34) GPR84FFAR1CA1MAPT
SCHEMBL3295870 0.68 CES2 (0.38) GPR84FFAR1PPARDMEN1KMT2A
SCHEMBL11089319 0.68 GPR84 (0.34) GPR84FFAR1CA1
SCHEMBL909346 0.67 CA1 (0.36) GPR84FFAR1ACE2CA1
Didecyldimethylammonium SCHEMBL7640099 0.66 HTT (0.60) GPR84FFAR1ACE2KMT2A
SCHEMBL20853667 0.66 CES2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011133511-A1 COMPOSITIONS OF ENHANCED VISCOSITY. CLARITY, OR BOTH ENHANCED VISCOSITY AND CLARITY ISP INVESTMENTS INC. (US) 2011-10-27 WO disclosed