SCHEMBL8612202

SCHEMBL8612202

CC(O)NCCCCCCCCNCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.67
CHRM2 P08172 2/20 0.65
SIGMAR1 Q99720 6/20 0.59
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MPO P05164 1/20 0.47
ACHE P22303 3/20 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
SCHEMBL8613882 1.00 MAOA (0.67) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL8614361 1.00 MAOA (0.67) MAOACHRM2SIGMAR1HDAC3HDAC1
Hydrochloric Acid SCHEMBL8610424 0.98 MAOA (0.65) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL7628857 0.88 MEN1 (0.63) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL8610214 0.85 SIGMAR1 (0.64) SIGMAR1
SCHEMBL8610149 0.84 MAOA (0.62) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL8613857 0.84 CHRM2 (0.67) MAOACHRM2HDAC3HDAC1HDAC2
SCHEMBL8614791 0.82 MAOA (0.59) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL8851048 0.82 MAOA (1.00) MAOACHRM2SIGMAR1HDAC3HDAC1
SCHEMBL4642587 0.82 MAOA (1.00) MAOACHRM2SIGMAR1HDAC3HDAC1

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-5847092-A Erythromycin A 9-0 oxime derivatives endowed with antibiotic activity ZAMBON GROUP S.P.A. (IT) 1998-12-08 US disclosed