SCHEMBL16393094

SCHEMBL16393094

COc1ccc(C(OC[C@@H](O)CN(C)CCCCCCN(C)C(=O)CCCCOC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2NC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCHE P06276 3/20 0.33
▸ ACHE P22303 3/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ TNF P01375 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAPDH P04406 1/20 0.32
▸ FGF2 P09038 1/20 0.32
▸ MDK P21741 1/20 0.32
▸ HRAS P01112 1/20 0.31
▸ PTPN1 P18031 5/20 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
SCHEMBL16392920 0.92 LMNA (0.42) LMNAKMT2ABCHEACHEHDAC6
SCHEMBL16393095 0.91 LMNA (0.33) LMNAKMT2ABCHEACHEHDAC6
SCHEMBL18349846 0.87 BCHE (0.36) BCHEACHEHDAC6TNF
SCHEMBL16393093 0.85 — —
SCHEMBL18349597 0.82 BCHE (0.37) BCHEACHEHDAC6
SCHEMBL29929081 0.80 LMNA (0.46) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL16393030 0.80 LMNA (0.40) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL18413388 0.80 LMNA (0.35) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL16392921 0.78 LMNA (0.35) LMNAKMT2ACYP3A4MAPTCYP2C9
SCHEMBL18349852 0.78 BCHE (0.33) BCHEACHEHDAC6

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
WO-2015006740-A2 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-15 — — WO disclosed
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