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SCHEMBL26310600

SCHEMBL26310600

CC(C)(C)CC(C)(C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(F)c1OCCS(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AAK1 Q2M2I8 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ ROCK1 Q13464 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
SCHEMBL21261994 0.89 AAK1 (0.37) DGAT1HTTSMN1; SMN2AAK1POLB
SCHEMBL29750684 0.88 DGAT1 (0.34) DGAT1HTTSMN1; SMN2AAK1POLB
SCHEMBL21246757 0.88 DGAT1 (0.34) DGAT1HTTSMN1; SMN2AAK1POLB
SCHEMBL21262039 0.86 DGAT1 (0.35) DGAT1HTTSMN1; SMN2AAK1POLB
SCHEMBL30137189 0.86 DGAT1 (0.35) DGAT1HTTSMN1; SMN2AAK1POLB
SCHEMBL26310727 0.83 HTT (0.32) HTTSMN1; SMN2
SCHEMBL26310529 0.83 AAK1 (0.33) AAK1
SCHEMBL21246816 0.77 AAK1 (0.38) DGAT1HTTSMN1; SMN2AAK1POLB
SCHEMBL29750781 0.76 DGAT1 (0.35) DGAT1HTTSMN1; SMN2AAK1POLB
SCHEMBL21246755 0.76 DGAT1 (0.35) DGAT1HTTSMN1; SMN2AAK1POLB

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-3728267-B1 TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2023-09-13 — — EP disclosed