SCHEMBL8939369

SCHEMBL8939369

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
CTSG P08311 4/20 0.35
CMA1 P23946 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MGLL Q99685 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 1/20 0.34
CHRM3 P20309 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
SCHEMBL8939377 0.99 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939361 0.99 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939371 0.99 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939320 0.97 LTB4R2 (0.41) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939354 0.95 LTB4R2 (0.39) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939341 0.92 LTB4R2 (0.38) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939365 0.86 IRAK4 (0.39) LTB4R2KDM4EALDH1A1IRAK4PTGDR2
SCHEMBL8631709 0.79 LTB4R2 (0.37) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939333 0.78 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2PTGDR2FFAR4
Bromide SCHEMBL15881577 0.78 HTT (0.39) LTB4R2KDM4EALDH1A1SMN1; SMN2TSHR

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