SCHEMBL6512248

SCHEMBL6512248

Cc1ccc(COCCCCCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.49
UGCG Q16739 4/20 0.49
GBA2 Q9HCG7 4/20 0.49
ADRB2 P07550 2/20 0.45
KCNH2 Q12809 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGXT P21549 2/20 0.44
CHRM3 P20309 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL21169170 1.00 GBA1 (0.49) GBA1UGCGGBA2ADRB2KCNH2
SCHEMBL9278188 0.98 GBA1 (0.47) GBA1UGCGGBA2ADRB2KCNH2
SCHEMBL12361733 0.92 AGXT (0.47) GBA1UGCGGBA2ADRB2KCNH2
SCHEMBL4025519 0.87 UGCG (0.49) GBA1UGCGGBA2ADRB2KCNH2
SCHEMBL1180203 0.84 AGXT (0.50) GBA1UGCGGBA2ADRB2KCNH2
SCHEMBL28451813 0.83 AGXT (0.45) GBA1UGCGGBA2ADRB2KCNH2
SCHEMBL19837706 0.83 AGXT (0.45) GBA1UGCGGBA2ADRB2KCNH2
SCHEMBL9233338 0.83 TSHR (0.48) TDP1L3MBTL1NPC1RAB9A
SCHEMBL6551488 0.82 L3MBTL1 (0.65) GBA1UGCGGBA2TDP1L3MBTL1
SCHEMBL16614410 0.82 L3MBTL1 (0.65) GBA1UGCGGBA2TDP1L3MBTL1

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-2005100329-A1 NOVEL PROTECTING REAGENTS, PROTECTING GROUPS AND METHODS OF FORMING AND USING THE SAME THE UNIVERSITY OF MISSISSIPI (US) 2005-10-27 WO disclosed