SCHEMBL28080590

SCHEMBL28080590

C1=Cc2ccccc21.C=C=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.36
ACHE P22303 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
PTPRC P08575 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
PTPN1 P18031 1/20 0.36
CES1 P23141 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL28367808 0.87 MAPT (0.39) MAPTGAALMNAACHEKDM4E
Ethylene SCHEMBL9551923 0.85 MAPT (0.47) MAPTGAALMNAACHEKDM4E
SCHEMBL33554 0.84
SCHEMBL29375766 0.84 MAPT (0.53) MAPTGAALMNAACHEKDM4E
SCHEMBL29398195 0.84
SCHEMBL3767165 0.84 MAPT (0.53) MAPTGAALMNAACHEKDM4E
SCHEMBL29418986 0.84 MAPT (0.53) MAPTGAALMNAACHEKDM4E
SCHEMBL28398989 0.81 MAPT (0.45) MAPTGAALMNAACHEKDM4E
Water SCHEMBL9798116 0.81 MAPT (0.50) MAPTGAALMNAACHEKDM4E
Water SCHEMBL10406928 0.81

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
CN-106104849-A Ionic conduction composite diaphragm 国际商业机器公司 2016-11-09 CN disclosed