SCHEMBL6569092

SCHEMBL6569092

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ACHE P22303 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
CCR3 P51677 1/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNQ2 O43526 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PTGS1 P23219 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36

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 0.83 LMNA (0.45) LMNAACHEPPARGPPARDPPARA
SCHEMBL6567190 0.82 LMNA (0.47) LMNAACHEPPARGPPARDPPARA
SCHEMBL6410186 0.79 TSHR (0.47) LMNAACHEKDM4EKMT2ACYP1A2
SCHEMBL6409432 0.79 GAA (0.40) KDM4ECYP1A2CYP2C9CYP2C19GAA
SCHEMBL22420320 0.69 ALDH1A1 (0.48) LMNAACHEPPARGPPARDPPARA
SCHEMBL6566283 0.69 PPARG (0.46) LMNAACHEPPARGPPARDPPARA
SCHEMBL6656697 0.69 PPARG (0.61) LMNAACHEPPARGPPARDPPARA
SCHEMBL18255541 0.69 HIF1A (0.53) LMNAACHEPPARGPPARDPPARA
SCHEMBL3829775 0.69 CYP2C19 (0.55) ACHEPPARGPPARDPPARACCR3
SCHEMBL3828059 0.69 AKR1C3 (0.65) 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