SCHEMBL28809491

SCHEMBL28809491

CC(C)OC(=O)CCc1ccc(C(C)C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
F10 P00742 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGER1 P34995 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CYP17A1 P05093 1/20 0.32

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
SCHEMBL4568065 0.75 BRD4 (0.38) MEN1KMT2A
SCHEMBL4568015 0.75 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL5856851 0.74 F10 (0.51) MAPTF10MEN1KMT2AALDH1A1
SCHEMBL7641995 0.74 KLK5 (0.38)
SCHEMBL25686556 0.72 BCHE (0.42) MAPTMEN1KMT2A
SCHEMBL27945091 0.72 RXFP1 (0.36) MAPTMEN1KMT2ARXFP1GPR139
SCHEMBL978540 0.71 NPC1 (0.56) MAPTRXFP1ALDH1A1GAANPC1
SCHEMBL4889176 0.71 CA12 (0.38)
SCHEMBL8478429 0.70 RXFP1 (0.41) MAPTMEN1KMT2ARXFP1ALDH1A1
SCHEMBL26796257 0.70 MEN1 (0.48) MEN1KMT2AALDH1A1GAA

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-103429567-A Process for preparing chiral amino acids DIVERCHIM 2013-12-04 CN disclosed