SCHEMBL9518764

SCHEMBL9518764

CCCCCCCCCCCC(=O)NCC(=O)O[C@@H]1[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(C)=O)O[C@H](COC(=O)OCC(Cl)(Cl)Cl)[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ TLR4 O00206 13/20 0.39
▸ LY96 Q9Y6Y9 6/20 0.39
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TGM2 P21980 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
SCHEMBL9518759 1.00 LMNA (0.40) LMNAKMT2ATLR4LY96CYP3A4
SCHEMBL9518870 0.92 LMNA (0.39) LMNAKMT2ATLR4LY96CYP3A4
SCHEMBL9518876 0.92 LMNA (0.39) LMNAKMT2ATLR4LY96CYP3A4
SCHEMBL9518931 0.87 TLR4 (0.39) LMNAKMT2ATLR4LY96CYP3A4
SCHEMBL9518924 0.87 TLR4 (0.39) LMNAKMT2ATLR4LY96CYP3A4
SCHEMBL10530171 0.86 TLR4 (0.38) TLR4LY96
SCHEMBL9637333 0.86 TLR4 (0.38) TLR4LY96
SCHEMBL9520386 0.86 TLR4 (0.36) TLR4LY96CYP3A4MAPTCYP2C9
SCHEMBL9518719 0.85 TLR4 (0.37) TLR4LY96
SCHEMBL9637604 0.85 TLR4 (0.32) TLR4LY96CYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330715-B1 DISACCHARIDE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
US-5134230-A Disaccharide Antitumor Agent Intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 — — US disclosed
US-5006647-A Antitumor agents DAIICHI SEIYAKU CO., LTD. (JP) 1991-04-09 — — US disclosed
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