SCHEMBL9680487

SCHEMBL9680487

COCCC(CCOC)C(C)(N)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
LMNA P02545 3/20 0.46
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL10384878 0.77 POLB (0.42) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL10384419 0.77 CA1 (0.47) MAPTLMNAGSK3BALDH1A1KMT2A
SCHEMBL9680482 0.77 MAPT (0.48) MAPTLMNAGSK3BALDH1A1KMT2A
SCHEMBL10384260 0.77 CES1 (0.41) LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL308819 0.77 MAPT (0.55) MAPTLMNAGSK3BALDH1A1KMT2A
SCHEMBL9679848 0.75 PPARA (0.42) MAPTLMNAALDH1A1RAB9AATM
SCHEMBL9766563 0.75 TAS1R3 (0.42) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL9766565 0.75 ALDH1A1 (0.49) MAPTLMNAALDH1A1NPC1TP53
SCHEMBL307565 0.75 GSK3B (0.52) MAPTLMNAGSK3BALDH1A1KMT2A
SCHEMBL26054728 0.74 MAPT (0.57) MAPTLMNAGSK3BALDH1A1KMT2A

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 3 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 disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US 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