SCHEMBL18180873

SCHEMBL18180873

C=C1CC(OC(=O)c2ccc(Cl)cc2)C2C(=C)C(=O)OC2C2C(C)C(=O)CC12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2D3 P61077 3/20 0.41
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PGGT1B P53609 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ GLA P06280 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
SCHEMBL18180878 0.84 DYRK1A (0.40) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL18180868 0.77 MAPT (0.36) MAPTALDH1A1MEN1KMT2ANPC1
Grossheimin SCHEMBL1711489 0.74 MAPT (0.34) MAPTALDH1A1MEN1KMT2ANPC1
Grossheimin SCHEMBL1711493 0.74 MAPT (0.34) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL18180884 0.71 MAPT (0.37) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL12459711 0.63 MAPT (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL18180866 0.63 NPC1 (0.32) MAPTNPC1HTTRAB9ARECQL
SCHEMBL10307512 0.63 MAPT (0.42) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL21820640 0.61 CYP2D6 (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21820637 0.61 CYP2D6 (0.52) MAPTALDH1A1MEN1KMT2AKDM4E

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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