SCHEMBL583044

SCHEMBL583044

C=CC(=O)Oc1ccccc1OCc1nc(C)c(C)nc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
THRA P10827 1/20 0.43
CASP1 P29466 1/20 0.37
PDE6D O43924 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP3K7 O43318 1/20 0.35
MAP2K1 Q02750 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
VDR P11473 1/20 0.34

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
SCHEMBL6026935 0.76 NPC1 (0.51) THRBTHRAMAPK1L3MBTL1
SCHEMBL819105 0.75 THRB (0.56) THRBTHRALMNAMAPK1L3MBTL1
SCHEMBL583230 0.75 RAB9A (0.48) LMNAMAPK1L3MBTL1ALDH1A1
SCHEMBL30197447 0.75 THRB (0.56) THRBTHRALMNAMAPK1L3MBTL1
SCHEMBL3841280 0.74 THRB (0.56) THRBTHRAMAPK1KDM4EALDH1A1
SCHEMBL29413361 0.74 THRB (0.56) THRBTHRAMAPK1KDM4EALDH1A1
SCHEMBL28991775 0.73 THRB (0.57) THRBTHRALMNAL3MBTL1KDM4E
SCHEMBL28924976 0.72 KMT2A (0.52) THRBTHRALMNAL3MBTL1KDM4E
SCHEMBL27368181 0.72 THRB (0.49) THRBTHRAPDE6DMAPK1MAP3K7
SCHEMBL2235806 0.70 THRA (0.53) THRBTHRALMNAL3MBTL1KDM4E

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-2213666-B1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION LI JIAMING (CN) 2012-02-15 EP disclosed
EP-2213666-A1 LIGUSTRAZINE AROMATIC ACID ETHER DERIVATIVE, ITS PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION Li, Jiaming (CN) 2010-08-04 EP disclosed