SCHEMBL8939361

SCHEMBL8939361

C=C(CCCC(CCCCCC)Oc1ccccc1-c1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.40
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSG P08311 5/20 0.36
CMA1 P23946 5/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGLL Q99685 1/20 0.35
PTGES O14684 3/20 0.35
ALOX5 P09917 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SOAT1 P35610 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL8939371 1.00 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2CTSG
SCHEMBL8939377 1.00 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2CTSG
SCHEMBL8939369 0.99 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2CTSG
SCHEMBL8939320 0.96 LTB4R2 (0.41) LTB4R2KDM4EALDH1A1SMN1; SMN2CTSG
SCHEMBL8939354 0.94 LTB4R2 (0.39) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939341 0.91 LTB4R2 (0.38) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939365 0.85 IRAK4 (0.39) LTB4R2KDM4EALDH1A1IRAK4PTGDR2
Bromide SCHEMBL15881577 0.79 HTT (0.39) LTB4R2KDM4EALDH1A1SMN1; SMN2TSHR
Bromide SCHEMBL15881484 0.79 TSHR (0.39) LTB4R2KDM4EALDH1A1SMN1; SMN2CTSG
SCHEMBL8631709 0.78 LTB4R2 (0.37) LTB4R2KDM4EALDH1A1SMN1; SMN2CTSG

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-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed