SCHEMBL20299969

SCHEMBL20299969

[CH2]C1OC(OC)C(NC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CA9 Q16790 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ OGA O60502 1/20 0.31
▸ LGALS3 P17931 3/20 0.30
▸ LGALS1 P09382 1/20 0.30
▸ LGALS7; LGALS7B P47929 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
SCHEMBL20299966 0.91 LMNA (0.44) MMP9MMP12LMNAKMT2APOLB
SCHEMBL16441832 0.84 OGA (0.44) MMP9MMP12LMNAKMT2APOLB
SCHEMBL16441939 0.81 LMNA (0.40) MMP9MMP12LMNAKMT2APOLB
SCHEMBL24699769 0.79 LMNA (0.48) MMP9MMP12LMNAKMT2APOLB
SCHEMBL24645816 0.79 LMNA (0.48) MMP9MMP12LMNAKMT2APOLB
SCHEMBL20299971 0.79 MAPK1 (0.53) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL10903487 0.79 CA9 (0.41) MMP9MMP12LMNAKMT2APOLB
SCHEMBL10903484 0.79 CA9 (0.41) MMP9MMP12LMNAKMT2APOLB
SCHEMBL21518245 0.78 LMNA (0.45) MMP9MMP12LMNAKMT2APOLB
SCHEMBL17230163 0.78 LMNA (0.53) MMP9MMP12LMNAKMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558323-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA Etablissement Français du Sang (FR) 2019-10-30 — — EP disclosed
WO-2018115476-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA ETABLISSEMENT FRANÇAIS DU SANG (FR) 2018-06-28 — — WO disclosed
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