SCHEMBL28161306

SCHEMBL28161306

CCP(=O)(OCCC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
AOX1 Q06278 1/20 0.43
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5483767 0.82 MEN1 (0.67) MEN1KMT2AAOX1ALDH1A1TSHR
SCHEMBL777550 0.79 MEN1 (0.53) NPSR1MEN1KMT2AAOX1CA2
SCHEMBL1878610 0.79 NPSR1 (0.45) NPSR1MEN1KMT2ALMNAUSP2
SCHEMBL25705259 0.79 NPSR1 (0.49) NPSR1MEN1KMT2AAOX1LMNA
SCHEMBL3185365 0.79 MEN1 (0.38) MEN1KMT2AAOX1LMNAALDH1A1
SCHEMBL23121461 0.79 USP2 (0.52) NPSR1MEN1KMT2ALMNAUSP2
SCHEMBL779739 0.78 AOX1 (0.64) NPSR1MEN1KMT2AAOX1LMNA
SCHEMBL16335471 0.77 NPSR1 (0.46) NPSR1MEN1KMT2ALMNAUSP2
SCHEMBL28068172 0.77 AOX1 (0.62) NPSR1MEN1KMT2AAOX1LMNA
SCHEMBL25705277 0.77 NPSR1 (0.50) NPSR1MEN1KMT2AAOX1USP2

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-106884220-A FDY high strength polyester filament yarns 福建百宏聚纤科技实业有限公司 2017-06-23 CN disclosed