SCHEMBL9525867

SCHEMBL9525867

CCCCCCCC[C@@H](CCCCc1ccccc1CCCCC(=O)O)OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.58
CYSLTR1 Q9Y271 8/20 0.58
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
OXER1 Q8TDS5 1/20 0.45
SCD O00767 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL9456816 1.00 CYSLTR2 (0.58) CYSLTR2CYSLTR1LTB4RLTB4R2PPARG
SCHEMBL450282 0.85 FFAR4 (0.61) PPARGPPARAFFAR4FFAR1
SCHEMBL2482140 0.85 FFAR4 (0.61) PPARGPPARAFFAR4FFAR1
SCHEMBL2483044 0.85 FFAR4 (0.61) PPARGPPARAFFAR4FFAR1
SCHEMBL17332277 0.85 FFAR4 (0.61) PPARGPPARAFFAR4FFAR1
SCHEMBL23288411 0.85 FFAR4 (0.61) PPARGPPARAFFAR4FFAR1
SCHEMBL23288472 0.84 FFAR4 (0.59) PPARGPPARAFFAR4FFAR1
SCHEMBL27262058 0.84 CYSLTR2 (0.68) CYSLTR2CYSLTR1PPARGPPARAFFAR4
SCHEMBL25170031 0.84 CYSLTR2 (0.68) CYSLTR2CYSLTR1PPARGPPARAFFAR4
SCHEMBL9529521 0.83 FFAR4 (0.69) CYSLTR2CYSLTR1LTB4RFFAR4FFAR1

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
EP-0419610-B1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-15 EP claimed