SCHEMBL1709366

SCHEMBL1709366

C=C(O)C[C@@H]1CC[C@@H](N(CCC(C)C)CC2CCCCC2)[C@H](c2ccc(C(C)C)cc2)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL1709362 0.83 PSEN1 (0.39)
SCHEMBL10033141 0.82 ACHE (0.31)
SCHEMBL1709502 0.79 ESR2 (0.35)
SCHEMBL2320297 0.79 PSEN1 (0.47)
SCHEMBL10033138 0.78 SIGMAR1 (0.42)
SCHEMBL10033139 0.78 SIGMAR1 (0.39)
SCHEMBL1709423 0.77 ACHE (0.30)
SCHEMBL10032822 0.77 HTR2C (0.33)
SCHEMBL1709450 0.77 HTR2C (0.33)
SCHEMBL1709403 0.76 HTR2C (0.34)

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed