SCHEMBL28054881

SCHEMBL28054881

Cc1nc2cccc(OCC(C)(C)NC(=O)c3cccc(C=O)c3O)c2c(N)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SSTR4 P31391 3/20 0.32
TLR2 O60603 1/20 0.31
ERN1 O75460 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDR P35968 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL620158 0.88 MEN1 (0.38) MEN1KMT2ATP53HSD17B10NPSR1
SCHEMBL28826438 0.87 MAP4K4 (0.36) MEN1KMT2ATP53HSD17B10SSTR4
SCHEMBL17046802 0.86 MEN1 (0.38) MEN1KMT2ATP53HSD17B10NPSR1
SCHEMBL618130 0.85 KMT2A (0.38) MEN1KMT2ATP53HSD17B10NPSR1
SCHEMBL620706 0.85 KMT2A (0.40) MEN1KMT2ATP53HSD17B10SSTR4
SCHEMBL627486 0.84 SSTR4 (0.41) MEN1KMT2ASSTR4
SCHEMBL621846 0.84 MEN1 (0.41) MEN1KMT2ATP53HSD17B10NPSR1
SCHEMBL620013 0.83 MEN1 (0.36) MEN1KMT2ATP53HSD17B10NPSR1
SCHEMBL12265299 0.83 MAP4K4 (0.37) MEN1KMT2ATP53HSD17B10NPSR1
SCHEMBL619533 0.83 MEN1 (0.39) MEN1KMT2ATP53HSD17B10SSTR4

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-102933081-B Sweet flavor modifier SENOMYX, INC. (US) 2016-04-13 CN disclosed