SCHEMBL28006262

SCHEMBL28006262

CC(C)c1ccc2c(c1OCc1ccccc1)C(C1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.42
KDM1A O60341 8/20 0.38
HRH3 Q9Y5N1 4/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL28078446 0.72 GLRA1 (0.60) GLRA1MAOB
SCHEMBL28005978 0.72 GLRA1 (0.43) GLRA1KDM1AHRH3MAOAMAOB
SCHEMBL28060091 0.70 GLRA1 (0.49) GLRA1KDM1AMAOAMAOBHTR1A
SCHEMBL28060108 0.70 GLRA1 (0.49) GLRA1KDM1AMAOAMAOBHTR1A
SCHEMBL19235979 0.70 LMNA (0.38) SLC6A2
SCHEMBL28739304 0.68 GLRA1 (0.37) GLRA1KDM1AHRH3AGTR2
SCHEMBL9412065 0.68 GLRA1 (0.49) GLRA1MAOAMAOB
SCHEMBL28739325 0.68 HRH3 (0.35) GLRA1KDM1AHRH3MAOAMAOB
SCHEMBL28818023 0.68 GLRA1 (0.41) GLRA1KDM1AHRH3MAOAMAOB
SCHEMBL28818022 0.67 GLRA1 (0.40) GLRA1HRH3MAOBHTR1A

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
CN-104507898-A Phenol derivative, preparation method and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-04-08 CN disclosed