SCHEMBL30489288

SCHEMBL30489288

COc1ncccc1Cn1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC(F)(F)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.41
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ SCD5 Q86SK9 3/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 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
SCHEMBL25270623 1.00 SCD (0.41) SCDTAS2R8KDM4EHPGDUSP2
SCHEMBL25270622 1.00 SCD (0.41) SCDTAS2R8KDM4EHPGDUSP2
SCHEMBL25650723 0.90 SCD (0.43) SCDTAS2R8KDM4EHPGDUSP2
SCHEMBL25224686 0.90 SCD (0.43) SCDTAS2R8KDM4EHPGDUSP2
SCHEMBL25275107 0.90 SCD (0.43) SCDTAS2R8KDM4EHPGDUSP2
SCHEMBL25277902 0.85 TAS2R8 (0.45) SCDTAS2R8KDM4EHPGDJAK2
SCHEMBL25277901 0.85 TAS2R8 (0.45) SCDTAS2R8KDM4EHPGDJAK2
SCHEMBL25650697 0.85 TAS2R8 (0.42) SCDTAS2R8KDM4EHPGDUSP2
Hydrochloric Acid SCHEMBL30489286 0.84 TAS2R8 (0.44) SCDTAS2R8KDM4EHPGDJAK2
SCHEMBL25270575 0.84 TAS2R8 (0.42) SCDTAS2R8KDM4EHPGDUSP2

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-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 — — WO disclosed
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