SCHEMBL5310085

SCHEMBL5310085

O=C(O)C1CCCN1C(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.56
ALDH1A1 P00352 7/20 0.54
ACE P12821 1/20 0.54
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.50
GYS1 P13807 1/20 0.49
HSD17B10 Q99714 2/20 0.49
CA2 P00918 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL15347856 0.96 CHRNA7 (0.55) CHRNA7ALDH1A1ACERAB9ASMN1; SMN2
SCHEMBL16508652 0.87 CHRNA7 (0.55) CHRNA7ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL5306566 0.87 SMN1; SMN2 (0.62) CHRNA7ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3144701 0.86 ACE (0.52) CHRNA7ALDH1A1ACERAB9ASMN1; SMN2
SCHEMBL14407800 0.86 ACE (0.52) CHRNA7ALDH1A1ACERAB9ASMN1; SMN2
SCHEMBL14828729 0.83 CHRNA7 (0.51) CHRNA7ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL14664078 0.83 ALDH1A1 (0.53) CHRNA7ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL13892776 0.83 GYS1 (0.53) CHRNA7ALDH1A1ACERAB9ASMN1; SMN2
SCHEMBL5311984 0.82 SPHK1 (0.52) CHRNA7ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL5311981 0.82 CHRNA7 (0.50) CHRNA7ALDH1A1ACERAB9ASMN1; SMN2

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
WO-2007039781-A2 NEW COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed