SCHEMBL1629276

SCHEMBL1629276

CCCc1ccc(CC(CCC)(C(=O)c2ccc(N3CCOCC3)cc2)N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC13A5 Q86YT5 1/20 0.44
GSK3B P49841 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
ESR1 P03372 1/20 0.37
ATM Q13315 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 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
SCHEMBL1632618 0.93 MAPT (0.43) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5
SCHEMBL8900259 0.90 SMN1; SMN2 (0.46) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5
SCHEMBL1630624 0.89 ALDH1A1 (0.49) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5
SCHEMBL1629142 0.88 THRA (0.49) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5
SCHEMBL27634291 0.88 GSK3B (0.49) MAPTLMNASMN1; SMN2L3MBTL1GSK3B
SCHEMBL8898680 0.87 MAPT (0.47) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5
SCHEMBL1629488 0.86 THRA (0.44) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5
SCHEMBL1629247 0.85 THRA (0.50) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5
SCHEMBL8898042 0.84 SMN1; SMN2 (0.45) MAPTLMNASMN1; SMN2L3MBTL1GSK3B
SCHEMBL8899059 0.84 GSK3B (0.45) MAPTLMNASMN1; SMN2L3MBTL1SLC13A5

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
US-7932300-B2 Energy beam curable type ink jet printing ink JSR CORPORATION (JP) 2011-04-26 US claimed