SCHEMBL9680482

SCHEMBL9680482

COCCN(CCOC)C(C)(C)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
LMNA P02545 3/20 0.48
GSK3B P49841 1/20 0.47
ALDH1A1 P00352 7/20 0.45
PKM P14618 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
AKR1C3 P42330 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL307830 0.84 GSK3B (0.51) MAPTLMNAGSK3BALDH1A1PKM
SCHEMBL10458498 0.82 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL8898774 0.81 PTPN1 (0.39) MAPTLMNAGSK3BALDH1A1PKM
SCHEMBL308691 0.80 MAPT (0.52) MAPTLMNAGSK3BALDH1A1PKM
SCHEMBL8898946 0.80 SMN1; SMN2 (0.43) MAPTLMNAGSK3BALDH1A1KMT2A
SCHEMBL9680487 0.77 MAPT (0.46) MAPTLMNAGSK3BALDH1A1PKM
SCHEMBL10456874 0.77 ALDH1A1 (0.44) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL26054728 0.76 MAPT (0.57) MAPTLMNAGSK3BALDH1A1PKM
SCHEMBL9681281 0.76 CA1 (0.47) MAPTLMNAGSK3BALDH1A1PKM
SCHEMBL10384876 0.76 MLYCD (0.46) MAPTLMNAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US claimed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US claimed
JP-3007772-A None JP disclosed
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
JP-H037772-A ACTIVE ENERGY RAY-CURABLE COATING COMPOSITION TOYO INK MFG CO LTD 1991-01-14 JP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed