SCHEMBL28956802

SCHEMBL28956802

CC1CC(Br)CCC1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.34
FFAR3 O14843 1/20 0.33
F10 P00742 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL17629023 0.80 FFAR3 (0.36) PAX8FFAR3F10MAPK1TP53
SCHEMBL3152534 0.79
SCHEMBL6944495 0.77 GRM2 (0.44) FFAR3CYP2C19LMNAMTORALOX15
SCHEMBL353162 0.77 GRM2 (0.44) FFAR3CYP2C19LMNAMTORALOX15
SCHEMBL151899 0.77 GRM2 (0.44) FFAR3CYP2C19LMNAMTORALOX15
SCHEMBL6944486 0.77 GRM2 (0.44) FFAR3CYP2C19LMNAMTORALOX15
SCHEMBL9134965 0.77 GRM2 (0.44) FFAR3CYP2C19LMNAMTORALOX15
SCHEMBL353161 0.77 GRM2 (0.44) FFAR3CYP2C19LMNAMTORALOX15
SCHEMBL20570308 0.76
SCHEMBL29646182 0.76

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-108350014-B Aminoglycoside derivatives and their use in the treatment of genetic disorders ELOXX制药有限公司 2022-06-10 CN disclosed