SCHEMBL9521761

SCHEMBL9521761

CCCCCCCC(=O)NCCCCCC(=O)N[C@@H]1[C@@H](OCCOC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TLR4 O00206 9/20 0.46
▸ LY96 Q9Y6Y9 6/20 0.44
▸ HPSE Q9Y251 5/20 0.44
▸ FGF1 P05230 3/20 0.44
▸ FGF2 P09038 3/20 0.44
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9521758 1.00 LMNA (0.46) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9519945 0.94 LMNA (0.51) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL20380908 0.87 CYP3A4 (0.51) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL15333976 0.85 LMNA (0.61) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL20788116 0.85 LMNA (0.61) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL18879479 0.84 CYP3A4 (0.50) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL22380806 0.84 CYP3A4 (0.50) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL21730947 0.84 CYP3A4 (0.50) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL20827903 0.84 CYP3A4 (0.52) LMNACYP3A4MAPTCYP2C9CYP2C19
SCHEMBL19155892 0.83 CYP3A4 (0.54) LMNACYP3A4MAPTCYP2C9CYP2C19

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 4 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
EP-0330715-A1 Disaccharide derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
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