SCHEMBL8897338

SCHEMBL8897338

C=CCC(CC)(C(=O)c1ccc(N2CCOCC2)cc1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
MAPT P10636 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.40
PTPN1 P18031 1/20 0.38
MAPK1 P28482 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 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
SCHEMBL8898225 0.94 GSK3B (0.45) GSK3BMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL8900852 0.94 GSK3B (0.45) GSK3BMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9315455 0.87 GSK3B (0.49) GSK3BMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9679470 0.83 GSK3B (0.52) GSK3BMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3426330 0.83 ALDH1A1 (0.41) MAPTSMN1; SMN2LMNAMAPK1NPC1
SCHEMBL8900168 0.83 NPC1 (0.42) MAPTSMN1; SMN2LMNAL3MBTL1MAPK1
SCHEMBL8900214 0.82 GSK3B (0.44) GSK3BMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL11896653 0.82 ALDH1A1 (0.44) LMNAMAOBALDH1A1KDM4ECTSL
SCHEMBL8900208 0.82 GSK3B (0.44) GSK3BMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL4418400 0.81 ALDH1A1 (0.40) SMN1; SMN2LMNAL3MBTL1MAPK1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629356-A PHOTOCURABLE COMPOSITION CONTAINING ETHYLENICALLY UNSATURATED PHOTOPOLYMERIZABLE COMPOUND AND THE AMINOACETOPHENONE CIBA GEIGY CORPORATION (US) 1997-05-13 US disclosed
US-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed
US-5534629-A PHOTOPOLYMERIZATION OF PIGMENTED SYSTEMS, INKS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed
EP-0284561-B1 ALPHA-AMINOACETOPHENONES AS PHOTO INITIATORS CIBA-GEIGY AG (CH) 1993-05-12 EP disclosed
US-5077402-A For photocuring pigmented systems; printing inks, lacquers CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0284561-A2 Alpha-aminoacetophenones as photo initiators CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed