SCHEMBL28027600

SCHEMBL28027600

CCOc1cc(C(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c2ccccc2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 1/20 0.44
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.40
C5 P01031 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 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
SCHEMBL28027599 0.92 LMNA (0.47) LMNASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL28026971 0.83 LMNA (0.47) LMNAKMT2APOLBALDH1A1MAPT
SCHEMBL28026970 0.83 LMNA (0.53) LMNASMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL8415723 0.82 HTT (0.54) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL27946588 0.78 LMNA (0.50) LMNASMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL27929194 0.71 LMNA (0.50) LMNASMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL14479048 0.70 CA1 (0.56) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL7174425 0.69 PDE4A (0.53) LMNASMN1; SMN2KMT2APOLBNPSR1
SCHEMBL4825769 0.69 PDE4D (0.64) LMNASMN1; SMN2KMT2APOLBNPSR1
SCHEMBL7183447 0.69 PDE4A (0.64) LMNASMN1; SMN2KMT2APOLBALDH1A1

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