SCHEMBL21300637

SCHEMBL21300637

CCCCC/C=C/C(C)CCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCC(C)/C=C/CCCCC)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PTGES O14684 2/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ SPHK2 Q9NRA0 2/20 0.32
▸ SPHK1 Q9NYA1 2/20 0.32
▸ CETP P11597 1/20 0.32
▸ SOAT1 P35610 1/20 0.31
▸ FAAH O00519 1/20 0.31

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
SCHEMBL16013506 0.85 ALDH1A1 (0.40) PPARG
SCHEMBL16013507 0.85 ALDH1A1 (0.40) PPARG
SCHEMBL16154815 0.85 ALDH1A1 (0.40) PPARG
SCHEMBL19322735 0.72 LPAR1 (0.41) —
SCHEMBL19322704 0.72 LPAR1 (0.41) —
SCHEMBL16013342 0.72 PLA2G2A (0.44) —
SCHEMBL16013343 0.72 PLA2G2A (0.44) —
SCHEMBL9545663 0.71 MEN1 (0.48) PPARGSPHK2SPHK1CETPFAAH
SCHEMBL21643923 0.71 MEN1 (0.48) PPARGSPHK2SPHK1CETPFAAH
SCHEMBL9545661 0.71 MEN1 (0.48) PPARGSPHK2SPHK1CETPFAAH

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-2964608-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2019-08-28 — — EP disclosed
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