SCHEMBL30435129

SCHEMBL30435129

COc1ccc(C(OCCC(O)C#CC=CC#CC(O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.38
SLC6A1 P30531 3/20 0.38
KIF11 P52732 3/20 0.35
SLC6A12 P48065 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34

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
SCHEMBL30434706 0.83 SLC6A11 (0.39) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL26404632 0.82 SLC6A11 (0.41) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL30434984 0.82 SLC6A11 (0.41) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL26404645 0.80 SLC6A11 (0.38) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL887495 0.78 SLC6A11 (0.40) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL30434426 0.77 SLC6A11 (0.35) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL21873562 0.75 KMT2A (0.39) SLC6A11SLC6A1KIF11MEN1KMT2A
SCHEMBL21873564 0.75 KMT2A (0.39) SLC6A11SLC6A1KIF11MEN1KMT2A
SCHEMBL21873599 0.75 KMT2A (0.39) SLC6A11SLC6A1KIF11MEN1KMT2A
SCHEMBL26404634 0.73 SLC6A11 (0.48) SLC6A11SLC6A1KIF11SLC6A12MEN1

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
EP-4188900-A1 TOTAL SYNTHESES OF SPECIALIZED PRO-RESOLVING MEDIATORS (SPMS), STRUCTURAL ISOMERS AND STRUCTURAL ANALOGS Université Laval (CA) 2023-06-07 EP disclosed