SCHEMBL28826438

SCHEMBL28826438

Cc1nc2cccc(OCC(C)(C)NC(=O)c3ccc(C=O)c(O)c3)c2c(N)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SSTR4 P31391 1/20 0.31
CYP19A1 P11511 1/20 0.31
KISS1R Q969F8 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL621230 0.89 PDE4D (0.37) MAP4K4MEN1KMT2AKISS1RNPC1
SCHEMBL620459 0.89 HSD17B14 (0.36) MAP4K4MEN1KMT2ASSTR4
SCHEMBL12265299 0.88 MAP4K4 (0.37) MAP4K4MEN1KMT2ASSTR4TP53
SCHEMBL620486 0.87 MAP4K4 (0.38) MAP4K4MEN1KMT2ASSTR4TP53
SCHEMBL620013 0.87 MEN1 (0.36) MAP4K4MEN1KMT2ASSTR4TP53
SCHEMBL28054881 0.87 MEN1 (0.34) MAP4K4MEN1KMT2ASSTR4TP53
SCHEMBL27102632 0.86 MAP4K4 (0.39) MAP4K4MEN1KMT2ATP53NPC1
SCHEMBL621612 0.86 MEN1 (0.36) MAP4K4MEN1KMT2ASSTR4TP53
SCHEMBL621846 0.86 MEN1 (0.41) MAP4K4MEN1KMT2ASSTR4TP53
SCHEMBL626972 0.86 MEN1 (0.42) MEN1KMT2ATP53NPC1RAB9A

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