SCHEMBL30008661

SCHEMBL30008661

CCCC(=O)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
NPC1 O15118 2/20 0.60
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
THRB P10828 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
THRA P10827 2/20 0.48
HSD17B3 P37058 1/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL1978734 0.95 GSK3B (0.67) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
Ammonia Solution, Strong SCHEMBL28805139 0.94 GSK3B (0.65) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
Methylamine SCHEMBL28102069 0.93 GSK3B (0.63) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL28813783 0.91 GSK3B (0.61) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
Dimethylamine SCHEMBL27441745 0.91 GSK3B (0.61) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
Dimethylamine SCHEMBL27925267 0.90 GSK3B (0.60) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL30379812 0.87 GSK3B (0.63) GSK3BNPC1SMN1; SMN2L3MBTL1MAPT
Benzil SCHEMBL28130252 0.86 GSK3B (0.56) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL30367966 0.86 NPC1 (0.57) GSK3BNPC1HPGDSMN1; SMN2L3MBTL1
SCHEMBL22721390 0.85 GSK3B (0.61) GSK3BNPC1SMN1; SMN2MAPTALDH1A1

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
CN-117043280-A Color material dispersion liquid, modified color material, colored curable composition, color filter, and display device DNP精细化工股份有限公司 2023-11-10 CN disclosed
CN-111655650-B Interlayer film for laminated glass and laminated glass 积水化学工业株式会社 2022-11-18 CN disclosed