SCHEMBL9544948

SCHEMBL9544948

[CH]=CC=CC(CCCCCCCC)OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
GALR3 O60755 1/20 0.39
FAAH O00519 2/20 0.38
PDE4D Q08499 2/20 0.38
SMPD1 P17405 2/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
MAPT P10636 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
SCHEMBL28661747 0.84 MEN1 (0.43) MEN1KMT2AGPR84FFAR1GALR3
SCHEMBL28025984 0.84 MEN1 (0.43) MEN1KMT2AGPR84FFAR1GALR3
SCHEMBL28929595 0.84 MEN1 (0.43) MEN1KMT2AGPR84FFAR1GALR3
SCHEMBL28655999 0.83 MEN1 (0.41) MEN1KMT2AGPR84FFAR1GALR3
SCHEMBL11546096 0.82 ALDH1A1 (0.41) GPR84FFAR1GALR3FAAHMAPT
SCHEMBL8901201 0.82 ALDH1A1 (0.41) GPR84FFAR1GALR3FAAHMAPT
SCHEMBL11548518 0.82 ALDH1A1 (0.41) GPR84FFAR1GALR3FAAHMAPT
SCHEMBL17633873 0.81 GALR3 (0.42) MEN1KMT2AGPR84FFAR1GALR3
SCHEMBL11570963 0.81 MEN1 (0.42) MEN1KMT2AGPR84FFAR1GALR3
SCHEMBL17633875 0.81 GALR3 (0.42) MEN1KMT2AGPR84FFAR1GALR3

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-1993011105-A1 LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-10 WO disclosed