SCHEMBL28524657

SCHEMBL28524657

Clc1ccc(Br)cc1Cc1ccc2c(c1)OC=CO2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 11/20 0.51
SLC6A4 P31645 4/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
CCR5 P51681 3/20 0.34
SLC5A1 P13866 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
AHR P35869 1/20 0.32

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
SCHEMBL14128414 0.81 SLC5A2 (0.53) SLC5A2SLC5A1
SCHEMBL28534298 0.79 SLC5A2 (0.37) SLC5A2SLC6A4HTR2AKCNH2SLC5A1
SCHEMBL12782162 0.75 CCR5 (0.47) SLC6A4HTR2AKCNH2CCR5
SCHEMBL10040915 0.74 SLC5A2 (0.42) SLC5A2SLC5A1
SCHEMBL30137005 0.74 SLC5A2 (0.42) SLC5A2SLC5A1
SCHEMBL500031 0.74 SLC6A4 (0.37) SLC5A2SLC6A4HTR2AKCNH2CCR5
SCHEMBL500175 0.73 CA2 (0.38) SLC5A2SLC6A4HTR2AKCNH2SLC5A1
SCHEMBL17842 0.72 MEN1 (0.46) SLC5A2SLC6A4HTR2AKCNH2CCR5
SCHEMBL37715 0.72 SLC5A2 (0.47) SLC5A2SLC6A4HTR2AKCNH2CCR5
SCHEMBL1457579 0.72 APP (0.40) SLC5A2SLC6A4HTR2AKCNH2CCR5

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-108203432-B Glucopyranosyl derivative and application thereof in medicine 宜昌东阳光长江药业股份有限公司 2021-03-02 CN disclosed