SCHEMBL7573050

SCHEMBL7573050

CC(=O)Oc1cccc(OCCCc2oc(-n3ccnc3C)nc2-c2ccc(Cl)cc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 2/20 0.32
KCNH2 Q12809 2/20 0.32
GPR142 Q7Z601 2/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
LMNA P02545 1/20 0.32
MCL1 Q07820 1/20 0.32
FFAR4 Q5NUL3 5/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1363057 0.88 MAPT (0.39) CYP3A4CYP2D6LMNAMAPTKDM4E
SCHEMBL7507030 0.85 PPARD (0.41) SIRT2LMNAMAPTKDM4EPPARD
SCHEMBL1361779 0.84 GCGR (0.34) RXRARXRBRXRGLMNAMAPT
SCHEMBL203742 0.84 TP53 (0.41) LMNAMAPTMEN1KMT2A
SCHEMBL962882 0.83 MAPT (0.36) CYP3A4LMNAMAPTMEN1CYP1A2
Hydrochloric Acid SCHEMBL1362475 0.83 TP53 (0.41) LMNAMAPTMEN1KMT2A
SCHEMBL1361418 0.83 MAPT (0.42) CYP3A4CYP2D6LMNAMAPTMEN1
SCHEMBL1361746 0.83 GCGR (0.38) CYP3A4CYP2D6MAPTMEN1CYP1A2
SCHEMBL1361106 0.83 TUBB4A (0.35) KCNH2LMNAMAPTMEN1KMT2A
SCHEMBL1362894 0.83 RXRA (0.41) RXRARXRBRXRGFFAR4PPARD

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-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 WO disclosed