SCHEMBL8522579

SCHEMBL8522579

O=C(OCC1CC(COC(=O)Oc2ccccc2)N1C(=O)c1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNA5 P30532 2/20 0.42
ELANE P08246 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ABCB1 P08183 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
KCNA5 P22460 1/20 0.37
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8848447 0.84 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4CHRNA5ELANE
SCHEMBL8848438 0.84 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4CHRNA5ELANE
SCHEMBL8848434 0.84 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4CHRNA5ELANE
SCHEMBL8522102 0.78 CYP2D6 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5ALDH1A1
SCHEMBL8522094 0.78 CYP2D6 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5ALDH1A1
SCHEMBL8522099 0.78 CYP2D6 (0.43) CHRNB2CHRNA7CHRNA4CHRNA5ALDH1A1
SCHEMBL8308864 0.74 SIGMAR1 (0.44) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL8308862 0.74 SIGMAR1 (0.44) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL8308867 0.74 SIGMAR1 (0.44) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1
SCHEMBL8308796 0.73 SMN1; SMN2 (0.38) KDM4EALDH1A1HTTGAA

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
EP-0607374-B1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS PO HANG IRON & STEEL (KR) 1999-04-07 EP disclosed
EP-0607374-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-07-27 EP disclosed
WO-1994000447-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-01-06 WO disclosed