SCHEMBL25129544

SCHEMBL25129544

CC(C)NCCCCC(NC(C)C)C(=O)NCCNC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ BCHE P06276 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ DPP7 Q9UHL4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ ALDH1A2 O94788 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32
▸ ITGB3 P05106 2/20 0.32

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
SCHEMBL25129816 0.88 ALDH1A1 (0.39) SIRT6SIRT1TLR2ALDH1A1NMT2
SCHEMBL23191786 0.86 SIRT6 (0.36) SIRT6SIRT1BCHETLR2ALDH1A1
SCHEMBL29318735 0.85 EPHX1 (0.35) SIRT6SIRT1ALDH1A1KDM4ENMT2
SCHEMBL23191820 0.84 SIRT6 (0.33) SIRT6SIRT1BCHETLR2ALDH1A1
SCHEMBL25132958 0.84 CPB2 (0.39) SIRT6SIRT1BCHETLR2ALDH1A1
SCHEMBL26003071 0.83 SIRT6 (0.35) SIRT6SIRT1BCHETLR2ALDH1A1
SCHEMBL14378775 0.83 SIRT6 (0.35) SIRT6SIRT1BCHETLR2DPP7
SCHEMBL25129814 0.82 ALDH1A1 (0.49) BCHEALDH1A1USP2TSHR
SCHEMBL14378774 0.82 SIRT6 (0.34) SIRT6SIRT1BCHETLR2DPP7
SCHEMBL25129824 0.81 NMT1 (0.46) SIRT6SIRT1TLR2NMT2NMT1

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
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
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