SCHEMBL31599302

SCHEMBL31599302

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cncs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.46
RORC P51449 11/20 0.44
PHGDH O43175 5/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL31599309 1.00 ACACB (0.46) ACACBRORCPHGDHHDAC1
SCHEMBL31599318 0.91 ACACB (0.44) ACACBRORCHDAC1
SCHEMBL31599311 0.88 ACACB (0.46) ACACBRORCHDAC1
SCHEMBL31599296 0.87 ACACB (0.48) ACACBRORCHDAC1
SCHEMBL23632695 0.80 RORC (0.51) RORC
SCHEMBL23632694 0.80 RORC (0.51) RORC
SCHEMBL19925256 0.77 RORC (0.47) RORCPHGDH
SCHEMBL31599310 0.77 RORC (0.47) ACACBRORCPHGDH
SCHEMBL31599326 0.77 RORC (0.44) RORCPHGDH
SCHEMBL30065036 0.77 RORC (0.51) 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