SCHEMBL28132014

SCHEMBL28132014

COC(C)C([CH]Cc1ccccc1)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.38
RCE1 Q9Y256 1/20 0.37
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 5/20 0.35
SLC6A2 P23975 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TSHR P16473 1/20 0.33
SLC18A2 Q05940 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
LTA4H P09960 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL1289345 0.73 MAOB (0.52) MAOBKMT2ATAAR1SLC6A2SIGMAR1
SCHEMBL1298830 0.73 MAOB (0.43) MAOBHTTTAAR1SLC6A2SIGMAR1
SCHEMBL4702113 0.73 MAOB (0.43) MAOBHTTTAAR1SLC6A2SIGMAR1
Hydrochloric Acid SCHEMBL7871280 0.72 MAOB (0.41) MAOBHTTTAAR1SLC6A2SIGMAR1
SCHEMBL8174260 0.70 MAOB (0.48) MAOBKMT2ATAAR1SLC6A2SIGMAR1
SCHEMBL4155331 0.70 MAOB (0.48) MAOBKMT2ATAAR1SLC6A2SIGMAR1
SCHEMBL3295095 0.70 MAOB (0.48) MAOBKMT2ATAAR1SLC6A2SIGMAR1
Phenylacetaldehyde SCHEMBL217860 0.69 TAAR1 (0.43) MAOBHTTRCE1KMT2ATAAR1
SCHEMBL12458540 0.68 SIGMAR1 (0.50) KMT2ATAAR1SLC6A2SIGMAR1MAOA
SCHEMBL794180 0.68 MAOB (0.46) MAOBTAAR1SLC6A2SIGMAR1MAOA

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-106543310-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN disclosed