SCHEMBL8716946

SCHEMBL8716946

COc1ccc(CC(C)(C[C@H](N)O)c2cccc(C)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ADRB3 P13945 1/20 0.39
HTT P42858 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL8713860 0.88 HTT (0.47) ADRB2SMN1; SMN2LMNACA2HTT
SCHEMBL8715550 0.87 SMN1; SMN2 (0.47) HTR2BSMN1; SMN2LMNAHTTSTAT3
SCHEMBL8433905 0.87 MEN1 (0.39) SMN1; SMN2LMNACA2HTTSTAT3
SCHEMBL8433303 0.87 MEN1 (0.39) SMN1; SMN2LMNACA2HTTSTAT3
SCHEMBL8714103 0.87 EPHX2 (0.41) ADRB2ADRB1ABL1RIN1SMN1; SMN2
SCHEMBL8717145 0.82 SMN1; SMN2 (0.40) SMN1; SMN2LMNA
SCHEMBL8717242 0.82 ESR1 (0.46) ADRB2ADRB1SLC6A4SLC6A3LMNA
SCHEMBL8718432 0.81 LMNA (0.40) KCNH2SMN1; SMN2LMNACA2HTT
SCHEMBL8713922 0.81 LMNA (0.49) LMNACA2HTTSTAT3CYP19A1
SCHEMBL8712989 0.81 MMP1 (0.43) SMN1; SMN2LMNACA2STAT3CYP19A1

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