SCHEMBL25225604

SCHEMBL25225604

COc1ncccc1Cn1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C2CC2)C2CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.44
▸ TAS2R8 Q9NYW2 1/20 0.43
▸ HDAC3 O15379 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SCD5 Q86SK9 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 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
SCHEMBL30489228 1.00 SCD (0.44) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25270627 1.00 SCD (0.44) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25650670 0.97 SCD (0.43) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25650671 0.97 SCD (0.43) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25278178 0.89 SCD (0.40) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25225316 0.89 SCD (0.40) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25650723 0.88 SCD (0.43) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25224686 0.88 SCD (0.43) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25275107 0.88 SCD (0.43) SCDTAS2R8HDAC3HDAC8NCOR2
SCHEMBL25276926 0.85 SCN9A (0.38) CYP3A4SCN9ACCNE1CDK2

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