SCHEMBL6438536

SCHEMBL6438536

C#CCc1cc(OCc2ccc(F)cc2)c2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.43
MAOA P21397 6/20 0.43
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR1A P08908 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPD P32754 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL6436625 0.88 MAOB (0.45) MAOBMAOASLC6A4
SCHEMBL5049671 0.80 MAOB (0.36) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL5047166 0.80 MAOB (0.48) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL6473179 0.71 PTPN1 (0.45) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL5047108 0.70 RARB (0.55)
SCHEMBL6456997 0.70 CYP26A1 (0.44) MAOBMEN1KMT2APOLBLMNA
SCHEMBL5048450 0.70 MAOB (0.34) MAOBMAOAKMT2ALMNAMAPT
SCHEMBL4947926 0.69 NR4A2 (0.44) KMT2A
SCHEMBL6472697 0.69 LIPE (0.46) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL7709238 0.69 RXRA (0.49)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed