SCHEMBL3716440

SCHEMBL3716440

COC(=O)C(C)COc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HDAC1 Q13547 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
XBP1 P17861 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
NAMPT P43490 2/20 0.43
NTSR1 P30989 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX12 P18054 1/20 0.42
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL18398430 0.87 MAPT (0.56) MAPTNPSR1L3MBTL1HDAC1RECQL
SCHEMBL1671565 0.82 NR1H4 (0.54) MAPTNPSR1L3MBTL1HDAC1RECQL
SCHEMBL7652554 0.80 NPC1 (0.58) MAPTL3MBTL1HDAC1NAMPTGAA
SCHEMBL19553789 0.80 EPHX2 (0.51) MAPTNPSR1L3MBTL1HDAC1RECQL
SCHEMBL3180689 0.79 L3MBTL1 (0.61) MAPTNPSR1L3MBTL1HDAC1RECQL
SCHEMBL23462113 0.79 L3MBTL1 (0.54) MAPTL3MBTL1HDAC1TDP1NAMPT
SCHEMBL6774590 0.79 L3MBTL1 (0.51) MAPTL3MBTL1HDAC1TDP1NAMPT
SCHEMBL21523879 0.79 NPC1 (0.64) MAPTNPSR1L3MBTL1HDAC1RECQL
SCHEMBL3608658 0.78 EPHX2 (0.62) MAPTL3MBTL1HDAC1TDP1NAMPT
SCHEMBL10227120 0.78 FAAH (0.64) L3MBTL1HDAC1CA12CA1CA2

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
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed