SCHEMBL28069482

SCHEMBL28069482

COC[C@@H](CC(C)C)C(=O)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
AKT1 P31749 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
HPGD P15428 1/20 0.36
CTSL P07711 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
SCHEMBL28069363 0.89 AKT1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1737441 0.83 HDAC3 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4AKT1
SCHEMBL28557111 0.79 AKT1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4AKT1
SCHEMBL3819098 0.79 AKT1 (0.52) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL10423913 0.78 AKT1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4AKT1
SCHEMBL1737432 0.75 AKT1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4AKT1
SCHEMBL27620369 0.75 MEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27620368 0.75 MEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7324970 0.75 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20341352 0.75 AKT1 (0.49) AKT1HDAC3HDAC1HDAC2NCOR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646284-A Lacosamide synthesis method 齐鲁天和惠世制药有限公司 2016-06-08 CN claimed
CN-105646284-A Lacosamide synthesis method 齐鲁天和惠世制药有限公司 2016-06-08 CN disclosed