SCHEMBL8939320

SCHEMBL8939320

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GRIA2 P42262 2/20 0.35
GRIA4 P48058 2/20 0.35
PIP4K2A P48426 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM3 P20309 1/20 0.34
CTSG P08311 1/20 0.34
PPARD Q03181 1/20 0.34
MMP2 P08253 2/20 0.33
CYP2C9 P11712 1/20 0.33
S1PR1 P21453 1/20 0.33
MMP3 P08254 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL8939369 0.97 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939361 0.96 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939377 0.96 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939371 0.96 LTB4R2 (0.40) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939354 0.96 LTB4R2 (0.39) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939341 0.93 LTB4R2 (0.38) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL8939365 0.87 IRAK4 (0.39) LTB4R2KDM4EALDH1A1IRAK4PTGDR2
SCHEMBL8939333 0.79 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2PTGDR2FFAR4
SCHEMBL8631709 0.76 LTB4R2 (0.37) LTB4R2KDM4EALDH1A1SMN1; SMN2IRAK4
SCHEMBL19458700 0.75 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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