SCHEMBL30154451

SCHEMBL30154451

COC(=O)C(C(C)=O)c1ccc(C#N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 14/20 0.44
S1PR1 P21453 4/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL23832231 1.00 S1PR3 (0.44) S1PR3S1PR1CYP11B1CYP11B2TRPA1
SCHEMBL30154432 0.84 S1PR3 (0.45) S1PR3S1PR1ALDH1A1
SCHEMBL23832197 0.84 S1PR3 (0.45) S1PR3S1PR1ALDH1A1
SCHEMBL5365140 0.83 S1PR3 (0.46) S1PR3S1PR1CYP11B1CYP11B2TRPA1
SCHEMBL23832221 0.81 ACACB (0.41) S1PR3S1PR1ALDH1A1
SCHEMBL30154447 0.81 ACACB (0.41) S1PR3S1PR1ALDH1A1
SCHEMBL23832213 0.78 SLC6A3 (0.42) S1PR3S1PR1ALDH1A1
SCHEMBL19926033 0.78 LMNA (0.47) ALDH1A1
SCHEMBL30154435 0.78 SLC6A3 (0.42) S1PR3S1PR1ALDH1A1
SCHEMBL29875423 0.78 LMNA (0.47) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823097-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2025-04-15 CN disclosed
CN-115551845-B PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2025-02-28 CN disclosed
CN-115551845-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2022-12-30 CN disclosed