SCHEMBL28539759

SCHEMBL28539759

C=C=COc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HSPA5 P11021 1/20 0.43
HPGD P15428 1/20 0.43
CBR1 P16152 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
AGTR1 P30556 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
S1PR4 O95977 3/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11784569 0.81 TDP1 (0.43) TTRLMNAMAPTNR1I2PGR
SCHEMBL1436760 0.78 TTR (0.47) TTRLMNAMAPTNR1I2PGR
SCHEMBL9154071 0.78 AHR (0.32)
SCHEMBL1547763 0.74 TTR (0.47) TTRLMNAMAPTNR1I2PGR
SCHEMBL4593314 0.74 TTR (0.49) TTRLMNAMAPTNR1I2PGR
SCHEMBL28746894 0.72 TTR (0.47) TTRLMNAMAPTNR1I2PGR
SCHEMBL9155219 0.71
SCHEMBL9545009 0.71 MAPT (0.44) TTRLMNAMAPTNR1I2PGR
SCHEMBL9545006 0.71 MAPT (0.44) TTRLMNAMAPTNR1I2PGR
SCHEMBL290801 0.70 TTR (0.52) TTRLMNAMAPTNR1I2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441934-B Halogenated oxaallylamine compound and preparation method and application thereof 华南理工大学 2022-04-22 CN disclosed
CN-112441934-A Halogenated oxaallylamine compound and preparation method and application thereof 华南理工大学 2021-03-05 CN disclosed