SCHEMBL13367679

SCHEMBL13367679

CC(=O)NC1C(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(CO)O[C@H]1OCCCCCO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ LGALS3 P17931 4/20 0.47
▸ LGALS8 O00214 1/20 0.47
▸ LGALS4 P56470 1/20 0.47
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ LGALS9 O00182 1/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TLR4 O00206 1/20 0.40
▸ B4GALT1 P15291 1/20 0.40
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL14878521 0.92 LMNA (0.50) MAPK1LGALS3LGALS8LGALS4KMT2A
SCHEMBL23394602 0.92 LMNA (0.50) MAPK1LGALS3LGALS8LGALS4KMT2A
SCHEMBL12248478 0.84 LMNA (0.50) MAPK1LGALS3LGALS8LGALS4KMT2A
SCHEMBL15592385 0.84 MAPK1 (0.52) MAPK1LGALS3LGALS8LGALS4KMT2A
SCHEMBL7889307 0.83 LMNA (0.44) LGALS3KMT2ALMNALGALS9LGALS1
SCHEMBL19786845 0.83 LMNA (0.53) MAPK1KMT2ALMNACYP3A4MAPT
SCHEMBL13447791 0.83 LMNA (0.51) MAPK1KMT2ALMNACYP3A4MAPT
SCHEMBL13447797 0.82 LMNA (0.50) MAPK1KMT2ALMNACYP3A4MAPT
SCHEMBL12248448 0.82 LMNA (0.50) MAPK1KMT2ALMNACYP3A4MAPT
SCHEMBL13117380 0.82 LMNA (0.50) MAPK1KMT2ALMNACYP3A4MAPT

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
US-7723509-B2 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs ALNYLAM PHARMACEUTICALS (US) 2010-05-25 — — US disclosed
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