SCHEMBL8939341

SCHEMBL8939341

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 6/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA4 P48058 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CHRM3 P20309 1/20 0.35
PPARD Q03181 1/20 0.34
MMP2 P08253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP9 P14780 1/20 0.34
CYP2C9 P11712 1/20 0.34
S1PR1 P21453 1/20 0.34
PDE10A Q9Y233 2/20 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
SCHEMBL8939320 0.93 LTB4R2 (0.41) LTB4R2IRAK4PTGDR2KDM4EMEN1
SCHEMBL8939354 0.93 LTB4R2 (0.39) LTB4R2IRAK4PTGDR2KDM4EMEN1
SCHEMBL8939369 0.92 LTB4R2 (0.40) LTB4R2IRAK4PTGDR2KDM4EMEN1
SCHEMBL8939371 0.91 LTB4R2 (0.40) LTB4R2IRAK4PTGDR2KDM4EALDH1A1
SCHEMBL8939377 0.91 LTB4R2 (0.40) LTB4R2IRAK4PTGDR2KDM4EALDH1A1
SCHEMBL8939361 0.91 LTB4R2 (0.40) LTB4R2IRAK4PTGDR2KDM4EALDH1A1
SCHEMBL8939365 0.88 IRAK4 (0.39) LTB4R2IRAK4PTGDR2KDM4EFFAR4
SCHEMBL19458792 0.82 KDM4E (0.44) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL8939321 0.80 PPARD (0.37) LTB4R2IRAK4PTGDR2KDM4EPKM
SCHEMBL8939333 0.79 KDM4E (0.48) PTGDR2KDM4EPKMMEN1KMT2A

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