SCHEMBL6497083

SCHEMBL6497083

CCOC(=O)C(Cc1cnc(OC)c(CNC(=O)OC(C)(C)C)c1)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
MAPT P10636 7/20 0.35
NPSR1 Q6W5P4 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 6/20 0.35
GPR55 Q9Y2T6 2/20 0.35
XBP1 P17861 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KCNA5 P22460 1/20 0.34
DYRK1A Q13627 1/20 0.34
NTSR1 P30989 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL6496923 0.83 PPARA (0.45)
SCHEMBL5549041 0.82 ALDH1A1 (0.36) MAPTNPSR1L3MBTL1RECQLTDP1
SCHEMBL5549029 0.81 PPARD (0.33) AAK1MAPTNPSR1L3MBTL1RECQL
SCHEMBL5552685 0.81 PPARD (0.44) AAK1MAPTNPSR1L3MBTL1RECQL
SCHEMBL6503438 0.81 PPARG (0.44) MAPTNPSR1L3MBTL1RECQLTDP1
SCHEMBL5549723 0.81 HDAC1 (0.39) MAPTNPSR1L3MBTL1RECQLTDP1
SCHEMBL5552678 0.79 TRPV1 (0.38) AAK1MAPTNPSR1L3MBTL1RECQL
SCHEMBL4327276 0.79 GLS (0.44) MAPTNPSR1L3MBTL1RECQLTDP1
SCHEMBL5549709 0.79 NSD2 (0.34) AAK1MAPTNPSR1L3MBTL1RECQL
SCHEMBL5553488 0.79 KCNA5 (0.33) AAK1MAPTNPSR1L3MBTL1RECQL

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed