SCHEMBL28367808

SCHEMBL28367808

C1=Cc2ccccc21.C=C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.39
PTPRC P08575 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN1 P18031 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5139068 0.81 MAPT (0.44) MAPTGAALMNAIDO1KDM4E
SCHEMBL8664211 0.81 MAPT (0.44) MAPTGAALMNAIDO1KDM4E
Ethylene SCHEMBL9551923 0.79 MAPT (0.47) MAPTGAALMNAIDO1KDM4E
SCHEMBL3767165 0.79 MAPT (0.53) MAPTGAALMNAIDO1KDM4E
SCHEMBL29398195 0.79
SCHEMBL29375766 0.79 MAPT (0.53) MAPTGAALMNAIDO1KDM4E
SCHEMBL33554 0.79
SCHEMBL29418986 0.79 MAPT (0.53) MAPTGAALMNAIDO1KDM4E
SCHEMBL29120205 0.76 MAPT (0.45) MAPTGAALMNAIDO1KDM4E
SCHEMBL28398989 0.76 MAPT (0.45) MAPTGAALMNAIDO1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340446-A Chiral benzocyclobutene alcohol, and synthesis method and application thereof 复旦大学 2022-11-15 CN disclosed
CN-115197122-A Preparation method of N heteroatom multi-condensed ring 江苏食品药品职业技术学院 2022-10-18 CN disclosed
CN-115197122-A Preparation method of N heteroatom multi-condensed ring 江苏食品药品职业技术学院 2022-10-18 CN disclosed
CN-108083963-B Synthetic method of diarylethene 中国工程物理研究院激光聚变研究中心 2020-08-28 CN disclosed
CN-106323719-B Extraction method of volatile components of Huidouba 四川农业大学 2019-12-10 CN disclosed