SCHEMBL18180885

SCHEMBL18180885

C=C1CC(OC(=O)C2(O)CC(O)C(O)C(O)C2)C2C(C)C(=O)OC2C2C(C)C(=O)CC12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL18180932 0.80 MEN1 (0.31) ALDH1A1MEN1MAPTKMT2A
SCHEMBL30174115 0.77 MAPK1 (0.42) —
SCHEMBL10307511 0.77 MAPK1 (0.42) —
SCHEMBL18180872 0.65 MAPK1 (0.30) —
SCHEMBL18180877 0.65 MEN1 (0.30) ALDH1A1MEN1MAPTKMT2A
SCHEMBL18180874 0.64 — —
SCHEMBL18180882 0.63 FNTA (0.45) ALDH1A1MEN1MAPTKMT2A
Grossheimin SCHEMBL1711493 0.63 MAPT (0.34) ALDH1A1MEN1MAPTKMT2A
Grossheimin SCHEMBL1711489 0.63 MAPT (0.34) ALDH1A1MEN1MAPTKMT2A
SCHEMBL18180870 0.63 NFE2L2 (0.31) —

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
WO-2016169573-A1 SESQUITERPENE LACTONES AS POTENT AND BROAD SPECTRUM ANTIVIRAL COMPOUNDS AGAINST ALL GENOTYPES OF HEPATITIS C VIRUS (HCV) ELSEBAI MAHMOUD FAHMI (EG) 2016-10-27 — — WO disclosed
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