SCHEMBL9681606

SCHEMBL9681606

CCCCC(CC)(C(=O)c1ccc(N2CCOCC2)cc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
MAPT P10636 9/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
ESR1 P03372 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
SCHEMBL9679470 0.90 GSK3B (0.52) GSK3BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10384862 0.88 ALDH1A1 (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL27615283 0.87 GSK3B (0.50) GSK3BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9679954 0.86 ALDH1A1 (0.41) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL10384867 0.86 ALDH1A1 (0.62) MAPTSMN1; SMN2NPC1LMNAL3MBTL1
SCHEMBL9681257 0.86 ALDH1A1 (0.44) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL8900852 0.82 GSK3B (0.45) GSK3BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8898382 0.82 GSK3B (0.45) GSK3BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8900208 0.81 GSK3B (0.44) GSK3BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28936310 0.81 SMN1; SMN2 (0.49) GSK3BMAPTSMN1; SMN2NPC1RAB9A

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