SCHEMBL21518245

SCHEMBL21518245

CCC(=O)OC1OC(OC)C(NC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ OGA O60502 1/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LGALS8 O00214 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LGALS3 P17931 2/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL21518247 0.92 LMNA (0.49) LMNAKMT2AMMP9MMP12ALDH1A1
SCHEMBL16441832 0.90 OGA (0.44) LMNAKMT2AMMP9MMP12ALDH1A1
SCHEMBL16441939 0.83 LMNA (0.40) LMNAKMT2AMMP9MMP12ALDH1A1
SCHEMBL27210426 0.82 OGA (0.50) LMNAKMT2AOGATHRBCYP2D6
SCHEMBL24645816 0.82 LMNA (0.48) LMNAKMT2AMMP9MMP12ALDH1A1
SCHEMBL21332151 0.80 CYP3A4 (0.41) LMNAKMT2AALDH1A1POLBOGA
SCHEMBL21518244 0.80 LMNA (0.49) LMNAKMT2AMMP9MMP12ALDH1A1
SCHEMBL24699769 0.79 LMNA (0.48) LMNAKMT2AMMP9MMP12ALDH1A1
SCHEMBL20299969 0.78 MMP9 (0.40) LMNAKMT2AMMP9MMP12ALDH1A1
SCHEMBL21332348 0.78 CYP3A4 (0.39) LMNAKMT2AALDH1A1POLBOGA

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-3558323-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA Etablissement Français du Sang (FR) 2019-10-30 — — EP disclosed
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