SCHEMBL31599296

SCHEMBL31599296

CCOC[C@H](NC(=O)c1cncs1)c1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.48
HDAC1 Q13547 4/20 0.38
RORC P51449 8/20 0.37
HDAC3 O15379 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 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
SCHEMBL31599311 0.90 ACACB (0.46) ACACBHDAC1RORC
SCHEMBL31599309 0.87 ACACB (0.46) ACACBHDAC1RORC
SCHEMBL31599302 0.87 ACACB (0.46) ACACBHDAC1RORC
SCHEMBL31599318 0.85 ACACB (0.44) ACACBHDAC1RORCHDAC3HDAC2
SCHEMBL17710297 0.78 RORC (0.39) RORC
SCHEMBL17710294 0.78 RORC (0.39) RORC
SCHEMBL17722791 0.73 MMP13 (0.43) RORC
SCHEMBL31599282 0.72 RORC (0.46) RORC
SCHEMBL23343597 0.71 RORC (0.53) RORC
SCHEMBL30075178 0.68 RORC (0.48) RORC

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
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed