SCHEMBL8935507

SCHEMBL8935507

CNC(=O)CC(N)(O)Cc1ccc(OCc2cccc(OC)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
FFAR1 O14842 2/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
BCHE P06276 1/20 0.44

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
SCHEMBL8935358 0.88 MAOB (0.53) MAOBRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL8935253 0.87 MAOB (0.54) MAOB
SCHEMBL7398078 0.87 MAOB (0.54) MAOBPKM
SCHEMBL8935380 0.85 MAOB (0.57) MAOBALDH1A1FFAR1MRGPRX4
SCHEMBL8935288 0.81 MAOB (0.51) MAOBRAB9ASMN1; SMN2NPC1FFAR1
SCHEMBL8935370 0.78 MAOB (0.50) MAOBSMN1; SMN2KDM4EFFAR1
SCHEMBL8935234 0.77 FFAR1 (0.51) RAB9ANPC1FFAR1
SCHEMBL8935289 0.77 MAOB (0.51) MAOBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL8935313 0.77 SCN3A (0.53) MAOB
SCHEMBL8935352 0.75 MAOB (0.55) MAOBKDM4EFFAR1SPHK2SPHK1

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed