SCHEMBL12769971

SCHEMBL12769971

COc1ccc(COCC[C@@H]2OC(C)(C)O[C@@H]2CC=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR9 Q9NR96 1/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
APP P05067 6/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL12769262 0.86 GLA (0.39) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL12769950 0.86 GLA (0.39) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL12769967 0.85 TDP1 (0.40) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL17082370 0.81 CYP3A4 (0.39) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL14212905 0.79 TDP1 (0.36) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL14212903 0.79 TDP1 (0.36) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL12769963 0.78 HDAC4 (0.36) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL14212904 0.78 TDP1 (0.35) GLANPSR1PPARGTDP1L3MBTL1
SCHEMBL8074066 0.76 TDP1 (0.42) PPARGTDP1L3MBTL1IDO1AGXT
SCHEMBL8074069 0.76 TDP1 (0.42) PPARGTDP1L3MBTL1IDO1AGXT

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-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed