SCHEMBL5760032

SCHEMBL5760032

COc1ccc(C(Br)C=O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.53
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
ERN1 O75460 2/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 4/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
AR P10275 2/20 0.41
CYP1A2 P05177 3/20 0.41
LMNA P02545 3/20 0.41
CYP2C19 P33261 3/20 0.41
PGR P06401 2/20 0.41
SLC6A2 P23975 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL23674808 0.83 ALDH1A1 (0.41) TYRTRIM24TRIM33ACHEERN1
SCHEMBL28162837 0.81 TYR (0.54) TYRTRIM24TRIM33BCHEACHE
SCHEMBL2465466 0.81 ALDH1A1 (0.51) ACHEERN1CYP3A4MAPK1ALDH1A1
SCHEMBL15688118 0.80 TYR (0.46) TYRALDH1A1MAPTPOLBKDM4E
SCHEMBL20550917 0.80 HTR2A (0.40) TYRTRIM24TRIM33ACHEERN1
SCHEMBL20551265 0.80 CHRM2 (0.41) TYRTRIM24TRIM33ACHEERN1
SCHEMBL6447631 0.80 CHRM2 (0.41) TYRTRIM24TRIM33ACHEERN1
SCHEMBL4731187 0.80 TYR (0.49) TYRTRIM24TRIM33BCHEACHE
SCHEMBL5207565 0.78 TYR (0.48) TYRTRIM24TRIM33BCHEACHE
SCHEMBL2928368 0.78 HTT (0.58) ACHEMAPK1ALDH1A1CYP1A2LMNA

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
EP-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed