SCHEMBL27765142

SCHEMBL27765142

C=CCOC(=O)CC(O)C(C(=O)OC(C)(C)C)C(N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP2C19 P33261 1/20 0.32
KLK5 Q9Y337 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
SCHEMBL27613187 0.86 F10 (0.40) L3MBTL1CYP3A4ALDH1A1TSHRCYP2C19
SCHEMBL9833387 0.85 ALDH1A1 (0.41) ALDH1A1KLK5
SCHEMBL27765204 0.80 MAPT (0.40) MAPTSMN1; SMN2PKML3MBTL1CYP3A4
SCHEMBL27892297 0.78 AAK1 (0.36) SMN1; SMN2PKML3MBTL1CYP3A4NPSR1
SCHEMBL27660598 0.77 ATM (0.38) MAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL8069348 0.75 ALDH1A1 (0.40) MAPTCYP3A4NPSR1ALDH1A1
SCHEMBL28301558 0.75 ADRA2A (0.40) MAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL5650824 0.74 ATM (0.38) L3MBTL1
SCHEMBL5652634 0.74 ATM (0.38) L3MBTL1
SCHEMBL4941845 0.74 SMN1; SMN2 (0.48) MAPTSMN1; SMN2PKMCYP3A4NPSR1

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-101589056-A Depsipeptide and therepic use thereof UNIV SOUTHAMPTON (GB) 2009-11-25 CN disclosed