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Sugi Predict / Compounds / SCHEMBL30860741

SCHEMBL30860741

SCHEMBL30860741

C=CCOC(=O)C1=C(SCCO)S[C@H]2[C@@H]([C@@H](C)O)C(=O)N12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 9/20 0.55
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 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
SCHEMBL10733755 1.00 ELANE (0.55) ELANEMEN1KMT2APTGS1CA1
SCHEMBL10733750 1.00 ELANE (0.55) ELANEMEN1KMT2APTGS1CA1
SCHEMBL21667397 0.92 ELANE (0.57) ELANEMEN1KMT2APTGS1CA1
SCHEMBL11476865 0.90 ELANE (0.55) ELANEMEN1KMT2APTGS1CA1
SCHEMBL10738651 0.90 ELANE (0.55) ELANEMEN1KMT2APTGS1CA1
SCHEMBL10736041 0.90 ELANE (0.67) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10371074 0.90 ELANE (0.67) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10735801 0.90 ELANE (0.67) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10735805 0.90 ELANE (0.67) ELANEMEN1KMT2APTGS1KDM4E
SCHEMBL10590295 0.89 ELANE (0.54) ELANEMEN1KMT2APTGS1CA1

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
EP-3523309-B1 ANTIBACTERIAL AGENTS AGAINST D,D- AND L,D-TRANSPEPTIDASES UNIV JOHNS HOPKINS (US) 2024-04-17 — — EP disclosed