SCHEMBL8717142

SCHEMBL8717142

COc1ccccc1CC(C)C(N)C(O)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
BCHE P06276 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR7 P34969 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8717141 1.00 AOC3 (0.39) AOC3L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL8720039 0.87 ATM (0.46) L3MBTL1SMN1; SMN2MEN1KMT2AATM
SCHEMBL8720035 0.87 ATM (0.46) L3MBTL1SMN1; SMN2MEN1KMT2AATM
SCHEMBL8720148 0.87 ADRB3 (0.44) AOC3MEN1KMT2A
SCHEMBL8720151 0.87 ADRB3 (0.44) AOC3MEN1KMT2A
SCHEMBL8713546 0.86 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8713544 0.86 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8719224 0.84 PNMT (0.43) SMN1; SMN2GAA
SCHEMBL8719221 0.84 PNMT (0.43) SMN1; SMN2GAA
SCHEMBL8713648 0.82 SLC6A2 (0.39) AOC3MEN1KMT2ASLC6A2SLC6A4

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed