SCHEMBL4732300

SCHEMBL4732300

CCCCCCCCCCCOC(CC(=O)O)(C(=O)O)C(CCCCCCCCCCC)(CCCCCCCCCCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CES2 O00748 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX1 P07099 1/20 0.37
ACHE P22303 2/20 0.36
PAM P19021 2/20 0.36
TSHR P16473 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
SCHEMBL4731154 1.00 NAAA (0.39) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL2486883 1.00 NAAA (0.39) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL1420373 1.00 NAAA (0.39) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL4731035 1.00 NAAA (0.39) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL688123 1.00 NAAA (0.39) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL11213772 1.00 NAAA (0.39) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL101729 1.00 NAAA (0.39) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL3381549 0.98 NAAA (0.36) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL13386659 0.97 NAAA (0.37) NAAACES2S1PR4S1PR1S1PR3
SCHEMBL25343795 0.97 S1PR4 (0.38) CES2S1PR4S1PR1S1PR3S1PR5

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-2008043654-A2 BLOND CLEAR TREATMENT HENKEL AG & CO. KGAA (DE) 2008-04-17 WO disclosed