SCHEMBL11705185

SCHEMBL11705185

CCCCCCCCCCCCCCC(O)C(O)(O)C(O)(O)C(=O)[O-].CCCCCCCCCCCCCCC(O)C(O)(O)C(O)(O)C(=O)[O-].CCCCCCCCCCCCCCC(O)C(O)(O)C(O)(O)C(=O)[O-].[Al+3]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.45
CA2 P00918 1/20 0.44
CA1 P00915 2/20 0.43
FFAR1 O14842 2/20 0.43
NFKB1 P19838 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
FDPS P14324 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37

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
SCHEMBL15367407 0.97 GPR84 (0.45) GPR84CA2CA1FFAR1NFKB1
SCHEMBL3960483 0.97 GPR84 (0.45) GPR84CA2CA1FFAR1NFKB1
Water SCHEMBL28933192 0.95 GPR84 (0.44) GPR84CA2CA1FFAR1NFKB1
SCHEMBL1326141 0.82 GPR84 (0.50) GPR84FFAR1FFAR4FDPSMAPT
SCHEMBL690825 0.82 GPR84 (0.50) GPR84FFAR1FFAR4FDPSMAPT
Potassium Ion SCHEMBL6686312 0.79 GPR84 (0.47) GPR84CA2CA1FFAR1NFKB1
Glycerin SCHEMBL760417 0.77 GPR84 (0.46) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL28496979 0.76 GPR84 (0.47) GPR84FFAR1FFAR4FDPSMAPT
SCHEMBL2355993 0.75 GPR84 (0.43) GPR84FFAR1FFAR4FDPSMAPT
SCHEMBL30693672 0.74 CA2 (0.41) GPR84CA2CA1FFAR1FFAR4

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
US-4060512-A ALUMINUM CARBOXYLATE HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed