SCHEMBL16614410

SCHEMBL16614410

COc1ccc(COCCCCCCCO)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
GBA1 P04062 1/20 0.51
UGCG Q16739 1/20 0.51
GBA2 Q9HCG7 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
APP P05067 7/20 0.47
CALM1 P0DP23 1/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CHRM3 P20309 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6551488 1.00 L3MBTL1 (0.65) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL1009895 1.00 L3MBTL1 (0.65) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL27089915 1.00 L3MBTL1 (0.65) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL9234752 0.98 L3MBTL1 (0.62) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL4483666 0.93 L3MBTL1 (0.59) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL29285378 0.90 L3MBTL1 (0.56) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL18682485 0.86 LTA4H (0.49) L3MBTL1TDP1APPHTTMEN1
SCHEMBL18682483 0.86 LTA4H (0.49) L3MBTL1TDP1APPHTTMEN1
SCHEMBL4741980 0.85 TDP1 (0.54) L3MBTL1TDP1CA1CA2APP
SCHEMBL1354132 0.85 L3MBTL1 (0.56) L3MBTL1TDP1GBA1UGCGGBA2

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
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 WO disclosed