SCHEMBL28026971

SCHEMBL28026971

COc1ccc(C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c2ccc(C)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 6/20 0.42
POLB P06746 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL28027599 0.91 LMNA (0.47) LMNAMEN1KMT2AGAAHTT
SCHEMBL28026970 0.91 LMNA (0.53) LMNAMEN1KMT2AGAAHTT
SCHEMBL28027600 0.83 LMNA (0.53) LMNAMEN1KMT2AGAAHTT
SCHEMBL10170773 0.78 TAS1R3 (0.40) MEN1KMT2AHTTALDH1A1TAS1R3
SCHEMBL675390 0.78 TAS1R3 (0.40) MEN1KMT2AHTTALDH1A1TAS1R3
SCHEMBL22267 0.78 TAS1R3 (0.40) MEN1KMT2AHTTALDH1A1TAS1R3
SCHEMBL3030564 0.78 TAS1R3 (0.40) MEN1KMT2AHTTALDH1A1TAS1R3
SCHEMBL6648721 0.78 TAS1R3 (0.40) MEN1KMT2AHTTALDH1A1TAS1R3
SCHEMBL8415723 0.77 HTT (0.54) LMNAMEN1KMT2AHTT
SCHEMBL27929191 0.76 LMNA (0.45) LMNAMEN1KMT2AGAAHTT

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
CN-103408465-B A kind of N-disubstituted benzenes ylmethyl valine amide carbamate derivatives and application NANKAI UNIVERSITY (CN) 2015-08-26 CN claimed