SCHEMBL20097747

SCHEMBL20097747

CCC(Cc1ccc(C(=O)OCCOC(=O)c2ccc(CC(CC)(C(=O)c3ccc(N4CCOCC4)cc3)N(C)C)cc2)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
GSK3B P49841 1/20 0.39
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.39
POLB P06746 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38

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
SCHEMBL18905142 0.96 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL18905140 0.94 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL8899663 0.94 APP (0.41) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL8898680 0.92 MAPT (0.47) MAPTSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL18910301 0.91 MRGPRX4 (0.46) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL1629303 0.91 MAPT (0.53) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL18905159 0.89 MAPT (0.39) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL8898118 0.89 MAPT (0.39) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL18910303 0.89 MEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL1632618 0.89 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1LMNAALDH1A1

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-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed