SCHEMBL24110385

SCHEMBL24110385

COC(=O)c1ccc(C#Cc2ccccc2S(=O)(=O)CCCc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 11/20 0.41
▸ CES1 P23141 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL22134674 0.81 SLC16A3 (0.46) SLC16A3
SCHEMBL22116669 0.79 SLC16A3 (0.53) SLC16A3
SCHEMBL22134878 0.78 SLC16A3 (0.40) SLC16A3
SCHEMBL24110517 0.77 SLC16A3 (0.50) SLC16A3
SCHEMBL22116732 0.77 SLC16A3 (0.43) SLC16A3
SCHEMBL22134881 0.74 FFAR1 (0.51) SLC16A3
SCHEMBL22116747 0.73 MAPK1 (0.47) SLC16A3
SCHEMBL22116752 0.73 MAPK1 (0.47) SLC16A3
SCHEMBL22117047 0.72 SLC16A3 (0.40) SLC16A3
SCHEMBL22116549 0.72 SLC16A3 (0.58) SLC16A3

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
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 — — WO disclosed
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