SCHEMBL6667094

SCHEMBL6667094

COc1cccc(OC=CCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
SIGMAR1 Q99720 1/20 0.45
GPR52 Q9Y2T5 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
G6PC1 P35575 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASR P41180 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2360573 0.85 LTA4H (0.53) MAOBSIGMAR1GPR52G6PC1KDM4E
SCHEMBL2360572 0.85 LTA4H (0.53) MAOBSIGMAR1GPR52G6PC1KDM4E
SCHEMBL6665182 0.83 LTA4H (0.52) MAOBIDO1AGXTSIGMAR1KDM4E
SCHEMBL6664833 0.82 MAOB (0.58) MAOBIDO1AGXTKMT2A
SCHEMBL6664124 0.82 AGXT (0.46) MAOBAGXT
SCHEMBL6666194 0.80 APP (0.43) MAOBALDH1A1KMT2A
SCHEMBL28084246 0.78 IDO1 (0.56) MAOBIDO1AGXTSIGMAR1TAAR1
SCHEMBL28140894 0.77 RELA (0.56) MAOBG6PC1
SCHEMBL6666271 0.75 MAOB (0.48) MAOBGPR52HTTSMN1; SMN2MEN1
SCHEMBL29288278 0.74 GRIN1 (0.56) MAOBIDO1AGXTSIGMAR1TAAR1

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-2004024684-A2 ENANTIOSELECTIVE AMINATION AND ETHERIFICATION YALE UNIVERSITY (US) 2004-03-25 WO disclosed