SCHEMBL8990177

SCHEMBL8990177

CCCCCCCCCCCCOC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.46
FFAR1 O14842 1/20 0.46
HCAR2 Q8TDS4 2/20 0.43
NAAA Q02083 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 2/20 0.41
CES2 O00748 1/20 0.40
MAPT P10636 1/20 0.40
DNM1 Q05193 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL27681636 1.00 GPR84 (0.46) GPR84FFAR1HCAR2NAAATP53
SCHEMBL7773504 1.00 GPR84 (0.46) GPR84FFAR1HCAR2NAAATP53
SCHEMBL27703732 1.00 GPR84 (0.46) GPR84FFAR1HCAR2NAAATP53
SCHEMBL6120610 1.00 GPR84 (0.46) GPR84FFAR1HCAR2NAAATP53
Phosphoric Acid SCHEMBL28622249 0.93 LPAR3 (0.44) GPR84FFAR1HCAR2
SCHEMBL2979038 0.92 ATM (0.41) GPR84FFAR1HCAR2TP53TSHR
SCHEMBL27720867 0.91 ATM (0.39) GPR84FFAR1HCAR2TP53TSHR
SCHEMBL28101475 0.90 TSHR (0.39) GPR84FFAR1TSHR
SCHEMBL5718514 0.88 HCAR2 (0.48) GPR84FFAR1HCAR2NAAATP53
SCHEMBL8935618 0.88 HCAR2 (0.48) GPR84FFAR1HCAR2NAAATP53

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
CN-104306167-A Lauryl alcohol tartrate toothpaste WEI FULIN 2015-01-28 CN claimed
CN-104306167-A Lauryl alcohol tartrate toothpaste WEI FULIN 2015-01-28 CN disclosed
EP-0721446-A1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS Waters Corporation (US) 1996-07-17 EP disclosed
WO-1995008529-A1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORPORATION (US) 1995-03-30 WO disclosed