SCHEMBL4025519

SCHEMBL4025519

Cc1ccc(N(c2ccc(COCCCCCCO)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(COCCCCCCO)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 13/20 0.49
GBA2 Q9HCG7 13/20 0.49
GBA1 P04062 12/20 0.49
ADRB2 P07550 2/20 0.39
LCT P09848 2/20 0.37
SI P14410 2/20 0.37
MGAM O43451 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 1/20 0.36
NAAA Q02083 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4018241 0.95 UGCG (0.46) UGCGGBA2GBA1ADRB2LCT
SCHEMBL21169170 0.87 GBA1 (0.49) UGCGGBA2GBA1ADRB2TDP1
SCHEMBL6512248 0.87 GBA1 (0.49) UGCGGBA2GBA1ADRB2TDP1
SCHEMBL9278188 0.85 GBA1 (0.47) UGCGGBA2GBA1ADRB2TDP1
SCHEMBL14173710 0.81 RARB (0.46) L3MBTL1MEN1KMT2A
SCHEMBL2307322 0.81 IGF1R (0.44) MEN1KMT2A
SCHEMBL13770037 0.80 TSHR (0.43) UGCGGBA2GBA1ADRB2L3MBTL1
SCHEMBL12361733 0.80 AGXT (0.47) UGCGGBA2GBA1ADRB2TDP1
SCHEMBL2310186 0.79 IGF1R (0.45) MEN1KMT2A
SCHEMBL12960329 0.78 HRH3 (0.52) UGCGGBA2GBA1LCTSI

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-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 WO disclosed