SCHEMBL28549815

SCHEMBL28549815

N#Cc1cccc(CC(Br)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.59
GSK3B P49841 2/20 0.50
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
PIN1 Q13526 1/20 0.46
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
DPP4 P27487 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
MAOB P27338 1/20 0.44
CNR1 P21554 1/20 0.43
VNN1 O95497 1/20 0.43
EPHX1 P07099 1/20 0.42

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
SCHEMBL3470878 0.85 FOLH1 (0.63) FOLH1GSK3BLMNAGLAPIN1
SCHEMBL23138998 0.83 FOLH1 (0.60) FOLH1GSK3BLMNAGLAPIN1
SCHEMBL7361177 0.83 FOLH1 (0.60) FOLH1GSK3BLMNAGLAPIN1
SCHEMBL20702757 0.83 FOLH1 (0.60) FOLH1GSK3BLMNAGLAPIN1
SCHEMBL29397955 0.81 FOLH1 (0.59) FOLH1DPP4DPP7FAPDPP8
SCHEMBL43812 0.81 FOLH1 (0.59) FOLH1DPP4DPP7FAPDPP8
SCHEMBL43811 0.81 FOLH1 (0.59) FOLH1DPP4DPP7FAPDPP8
SCHEMBL29557415 0.81 FOLH1 (0.59) FOLH1DPP4DPP7FAPDPP8
SCHEMBL12653044 0.81 FOLH1 (0.59) FOLH1LMNAGLAPIN1FFAR1
SCHEMBL838038 0.81 FOLH1 (0.59) FOLH1DPP4DPP7FAPDPP8

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-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 CN disclosed
CN-109195608-B Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-05-11 CN disclosed