SCHEMBL20097748

SCHEMBL20097748

CCC(Cc1ccc(C(C)=O)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
GSK3B P49841 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
PTGS2 P35354 1/20 0.41
PRKDC P78527 1/20 0.40
HPGD P15428 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL8898680 0.95 MAPT (0.47) MAPTATMALDH1A1KDM4EPOLB
Acetophenone SCHEMBL28437387 0.92 ALDH1A1 (0.43) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL1629303 0.92 MAPT (0.53) MAPTATMALDH1A1POLBSMN1; SMN2
SCHEMBL1631619 0.91 MAPT (0.44) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL58161 0.91 NPC1 (0.48) MAPTALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL17269413 0.91 MAPT (0.44) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL16561591 0.91 MAPT (0.45) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL1632618 0.90 MAPT (0.43) MAPTATMALDH1A1POLBSMN1; SMN2
SCHEMBL18905115 0.90 MAPT (0.43) MAPTATMALDH1A1KDM4EPOLB
SCHEMBL1629230 0.90 GSK3B (0.44) MAPTATMALDH1A1KDM4EPOLB

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