SCHEMBL6567190

SCHEMBL6567190

CCC(C(C)=O)c1cc(OC)c(OC)cc1C(O)c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PAX8 Q06710 1/20 0.46
ACHE P22303 2/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HIF1A Q16665 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNQ2 O43526 1/20 0.41
MAPK1 P28482 1/20 0.40
FDPS P14324 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LDHA P00338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Ethylene SCHEMBL6569127 0.97 LMNA (0.45) LMNAPAX8ACHEPPARGPPARD
SCHEMBL6432599 0.84 PAX8 (0.53) LMNAPAX8ACHEPPARGPPARD
SCHEMBL6569092 0.82 LMNA (0.42) LMNAACHEPPARGPPARDPPARA
SCHEMBL4282581 0.76 TSHR (0.54) LMNAACHECYP2C19CYP1A2CYP2C9
SCHEMBL6566283 0.75 PPARG (0.46) LMNAACHEPPARGPPARDPPARA
SCHEMBL6407738 0.75 CYP1A2 (0.45) PAX8CYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL6656697 0.75 PPARG (0.61) LMNAACHEPPARGPPARDPPARA
SCHEMBL3828059 0.74 AKR1C3 (0.65) LMNAACHEPPARGPPARDPPARA
SCHEMBL30990182 0.74 ACHE (0.54) LMNAACHEPPARGPPARDPPARA
SCHEMBL9589600 0.74 PPARG (0.50) LMNAACHEPPARGPPARDPPARA

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-1465879-A2 PROCESS FOR THE PREPARATION OF TOFISOPAM AND NEW INTERMEDIATES EGIS GYOGYSZERGYAR RT. (HU) 2004-10-13 EP disclosed
WO-2003050092-A2 PROCESS FOR THE PREPARATION OF TOFISOPAM AND NEW INTERMEDIATES EGIS Gyógyszergyár Rt. (HU) 2003-06-19 WO disclosed