SCHEMBL6329019

SCHEMBL6329019

CCN(CC)C(=O)c1ccccc1Cc1ccccc1OCC(C)OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
ABCB1 P08183 4/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ADRB2 P07550 4/20 0.36
ADRB1 P08588 4/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6248039 0.85 ALDH1A1 (0.47) LMNAMAPT
SCHEMBL6249983 0.85 ALDH1A1 (0.47) LMNAMAPT
SCHEMBL25259239 0.76 HRH1 (0.47) LMNATSHR
SCHEMBL25216672 0.76 HRH1 (0.47) LMNATSHR
SCHEMBL25218614 0.76 HRH1 (0.47) LMNATSHR
SCHEMBL6646996 0.76 CYP1A2 (0.52) KEAP1LMNAMAPTTSHR
SCHEMBL6247356 0.74 ALDH1A1 (0.46) LMNAMAPT
SCHEMBL6329021 0.72 SMN1; SMN2 (0.38) ABCB1LMNA
SCHEMBL4853522 0.69 LMNA (0.49) LMNA
SCHEMBL6644528 0.69 TSHR (0.55) KEAP1HCRTR1HCRTR2LMNAMAPT

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-6916822-B2 Phenoxyalkylamine derivatives useful as opioid δ receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 US disclosed