SCHEMBL6205572

SCHEMBL6205572

COc1ccc(C(C=O)c2cccc(F)c2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NFE2L2 Q16236 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
RELA Q04206 1/20 0.40
ERN1 O75460 1/20 0.39
CTSL P07711 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
AR P10275 1/20 0.37
TP53 P04637 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
SCHEMBL5207565 0.85 TYR (0.48) TYRTRIM24TRIM33NPC1RAB9A
SCHEMBL14856100 0.83 HTT (0.47) RAB9AALDH1A1LMNAGAANFE2L2
SCHEMBL4731187 0.81 TYR (0.49) TYRTRIM24TRIM33NPC1RAB9A
SCHEMBL15528140 0.79 HDAC4 (0.41) NPC1KDM4ELMNAMAPTKMT2A
SCHEMBL22365701 0.79 TYR (0.65) TYRTRIM24TRIM33ALDH1A1NFE2L2
SCHEMBL4661084 0.79 TYR (0.65) TYRTRIM24TRIM33ALDH1A1NFE2L2
SCHEMBL5202082 0.79 TYR (0.47) TYRTRIM24TRIM33NPC1RAB9A
SCHEMBL3955351 0.77 MEN1 (0.51) TYRTRIM24TRIM33NPC1RAB9A
SCHEMBL15545304 0.76 HDAC4 (0.41) MAOB
SCHEMBL26999264 0.74 ERN1 (0.47) TYRTRIM24TRIM33NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 WO disclosed