SCHEMBL28865453

SCHEMBL28865453

CCC(C)C(Cc1ccccc1)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 9/20 0.54
▸ CYP17A1 P05093 6/20 0.51
▸ CYP24A1 Q07973 1/20 0.47
▸ TRPA1 O75762 1/20 0.45
▸ CYP26A1 O43174 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43

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
SCHEMBL5303895 0.90 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1TRPA1CYP26A1
SCHEMBL5327195 0.85 CYP17A1 (0.54) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5326726 0.84 CYP19A1 (0.52) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5285238 0.84 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5330087 0.83 CYP17A1 (0.50) CYP19A1CYP17A1CYP24A1
SCHEMBL5307764 0.83 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1CYP11B1
SCHEMBL5818180 0.82 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1
SCHEMBL5327320 0.82 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1
SCHEMBL5324685 0.82 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1
SCHEMBL5812195 0.82 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1

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-108690217-A Carbon fiber recycles composition and method 波音公司 2018-10-23 — — CN disclosed
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