SCHEMBL8848434

SCHEMBL8848434

CC(=O)N1[C@H](COC(=O)Oc2ccccc2)C[C@H]1COC(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA5 P30532 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
ABCB1 P08183 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A3 Q01959 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP2D6 P10635 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 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
SCHEMBL8848447 1.00 CHRNB2 (0.40) CHRNB2CHRNA5CHRNA7CHRNA4ABCB1
SCHEMBL8848438 1.00 CHRNB2 (0.40) CHRNB2CHRNA5CHRNA7CHRNA4ABCB1
SCHEMBL8522579 0.84 CHRNB2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4ABCB1
SCHEMBL8522102 0.79 CYP2D6 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL8522099 0.79 CYP2D6 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL8522094 0.79 CYP2D6 (0.43) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL8309536 0.74 SMN1; SMN2 (0.38) GAAALDH1A1MAPTATML3MBTL1
SCHEMBL8308800 0.74 SMN1; SMN2 (0.38) GAAALDH1A1MAPTATML3MBTL1
SCHEMBL8308796 0.74 SMN1; SMN2 (0.38) GAAALDH1A1MAPTATML3MBTL1
SCHEMBL8308799 0.74 SMN1; SMN2 (0.38) GAAALDH1A1MAPTATML3MBTL1

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-5610310-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD (KR) 1997-03-11 US disclosed