SCHEMBL23949127

SCHEMBL23949127

COC(=O)[C@@H]1C=C[C@H](NC(=O)C2CN(c3cc(Cl)cc(Cl)c3)C2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
MMP2 P08253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL31128460 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29936768 0.68 L3MBTL1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL25602181 0.68 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL25602168 0.68 MEN1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL23948606 0.68 NOTUM (0.46) CA1CA2CA4CA6CA7
SCHEMBL25602221 0.67 L3MBTL1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL31360476 0.67 GRN (0.38) MMP2MEN1KMT2A
SCHEMBL2633668 0.67 CHRNB2 (0.32) MMP2
SCHEMBL13951879 0.67 CHRNB2 (0.32) MMP2
SCHEMBL6841691 0.66 CYP1A2 (0.35) MMP2ALDH1A1

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-2021209268-A1 BETA-LACTAMS AND THEIR USE AS HERBICIDES BASF SE (DE) 2021-10-21 WO disclosed