SCHEMBL28349162

SCHEMBL28349162

COc1ccc(C(OC[C@H]2CC[C@@H](O)CN2C(=O)CCCCCCCCCCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.44
SLC6A1 P30531 3/20 0.44
SLC6A12 P48065 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
PDE4B Q07343 1/20 0.37
CYP2J2 P51589 1/20 0.36
PTGFR P43088 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
TYMP P19971 1/20 0.35

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
SCHEMBL19463053 0.93 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
Lithium Ion SCHEMBL19463707 0.92 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL24383294 0.92 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL16843276 0.92 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL17231722 0.92 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL9604514 0.92 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL29329320 0.91 SLC6A11 (0.41) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL31606441 0.86 SLC6A11 (0.43) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL9908638 0.85 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL14978147 0.85 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365662-A Method of treatment 盖纳万科学有限公司 2021-09-07 CN disclosed
CN-110741087-A Targeted compositions 阿布特斯生物制药公司 2020-01-31 CN disclosed