SCHEMBL8631709

SCHEMBL8631709

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MGLL Q99685 2/20 0.34
PPARD Q03181 1/20 0.34
CTSG P08311 4/20 0.34
CMA1 P23946 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STAT3 P40763 1/20 0.33
PIP4K2A P48426 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL8515049 0.86 L3MBTL1 (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL8995717 0.84 MGLL (0.42) TSHRHSD17B10MGLLKDM4EALDH1A1
SCHEMBL7794898 0.80 PPARD (0.41) PPARDKDM4EALDH1A1SMN1; SMN2GRIA2
SCHEMBL8515053 0.79 TSHR (0.35) TSHRKDM4EALDH1A1SMN1; SMN2GRIA2
SCHEMBL8939369 0.79 LTB4R2 (0.40) LTB4R2IRAK4TSHRHSD17B10MGLL
SCHEMBL8939371 0.78 LTB4R2 (0.40) LTB4R2IRAK4TSHRHSD17B10MGLL
SCHEMBL8939377 0.78 LTB4R2 (0.40) LTB4R2IRAK4TSHRHSD17B10MGLL
SCHEMBL8939361 0.78 LTB4R2 (0.40) LTB4R2IRAK4TSHRHSD17B10MGLL
SCHEMBL8939320 0.76 LTB4R2 (0.41) LTB4R2IRAK4MGLLPPARDCTSG
SCHEMBL8912534 0.76 THRA (0.50) LTB4R2

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-5707543-A LIGHT SCATTERING AND RADIATION TRANSPARENT MEDIUM ON SUBSTRATES FOR OPTICAL RECORDING MEDIA USING LIQUID CRYSTALS FUJI XEROX CO., LTD. (JP) 1998-01-13 US disclosed