SCHEMBL28353604

SCHEMBL28353604

O=C(O)C1(CC2CC=CCC2)C=CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 6/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL28432962 0.82 KDM4E (0.36) KDM4ETDP1ALDH1A1GAAMEN1
SCHEMBL17092523 0.72 KDM4E (0.36) KDM4ETDP1ALDH1A1GAAMEN1
SCHEMBL2124046 0.71
SCHEMBL1123773 0.70 KDM4E (0.35) KDM4ETDP1ALDH1A1GAAMEN1
SCHEMBL28067611 0.69 KDM4E (0.35) KDM4ETDP1ALDH1A1GAAMEN1
SCHEMBL3025117 0.68 KDM4E (0.34) KDM4ETDP1ALDH1A1GAAMEN1
SCHEMBL27652437 0.66 KDM4E (0.36) KDM4ETDP1ALDH1A1CYP2C19PKM
SCHEMBL28021173 0.66 MEN1 (0.34) MEN1KMT2A
SCHEMBL9124355 0.65 KDM4E (0.36) KDM4ETDP1ALDH1A1GAAMEN1
SCHEMBL92858 0.64 KDM4E (0.43) KDM4ETDP1ALDH1A1GAAMEN1

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
CN-110698436-A Synthetic method of aliphatic epoxy compound 北京水木滨华科技有限公司 2020-01-17 CN claimed
CN-110698436-B Synthetic method of aliphatic epoxy compound 北京水木滨华科技有限公司 2021-01-26 CN disclosed
CN-110698436-A Synthetic method of aliphatic epoxy compound 北京水木滨华科技有限公司 2020-01-17 CN disclosed