SCHEMBL28896124

SCHEMBL28896124

CN1CCNC(CCCO)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CXCR4 P61073 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL21039807 0.93 CA1 (0.32) CA1CA2CA4CA9
SCHEMBL6630434 0.89 CA1 (0.40) CA1CA2CA4CA9BRD4
SCHEMBL3877348 0.89 CA1 (0.40) CA1CA2CA4CA9BRD4
SCHEMBL13811999 0.83 GLB1 (0.36) CXCR4
SCHEMBL6186420 0.81 NCF1 (0.32) CXCR4
SCHEMBL1184002 0.80
SCHEMBL1183999 0.80
SCHEMBL1190470 0.80
SCHEMBL15095870 0.80 GNAO1 (0.41)
SCHEMBL5178738 0.80 TSHR (0.32) CA1CA2CA4CA9

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-115364822-B Preparation method and application of MOFs material 广东美的白色家电技术创新中心有限公司 2023-10-27 CN claimed
CN-115364822-A Preparation method and application of MOFs material 广东美的白色家电技术创新中心有限公司 2022-11-22 CN claimed
CN-115364822-B Preparation method and application of MOFs material 广东美的白色家电技术创新中心有限公司 2023-10-27 CN disclosed