SCHEMBL8074069

SCHEMBL8074069

COc1ccc(COCCC2OC2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
APP P05067 7/20 0.37
PPARG P37231 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.36
GBA1 P04062 1/20 0.35
UGCG Q16739 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8074066 1.00 TDP1 (0.42) TDP1L3MBTL1IDO1AGXTNPC1
SCHEMBL12769262 0.83 GLA (0.39) TDP1L3MBTL1IDO1AGXTNPC1
SCHEMBL12769950 0.83 GLA (0.39) TDP1L3MBTL1IDO1AGXTNPC1
SCHEMBL8076909 0.80 PDE4D (0.47) TDP1L3MBTL1IDO1AGXTNPC1
SCHEMBL8076913 0.80 PDE4D (0.47) TDP1L3MBTL1IDO1AGXTNPC1
SCHEMBL22601882 0.78 L3MBTL1 (0.55) TDP1L3MBTL1IDO1AGXTHTT
SCHEMBL8076927 0.77 TDP1 (0.43) TDP1L3MBTL1IDO1AGXTCA1
SCHEMBL12769971 0.76 GLA (0.39) TDP1L3MBTL1IDO1AGXTNPC1
SCHEMBL24114691 0.74 L3MBTL1 (0.50) TDP1L3MBTL1
SCHEMBL12769967 0.73 TDP1 (0.40) TDP1L3MBTL1IDO1AGXTCA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026155-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP disclosed