SCHEMBL11170141

SCHEMBL11170141

C=CCO[C@@H]1[C@H](NC(C)=O)[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ MDM2 Q00987 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ PAX8 Q06710 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36

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
SCHEMBL11170133 1.00 POLB (0.51) POLBLMNAKMT2AALDH1A1CYP2C19
SCHEMBL11176233 0.94 POLB (0.55) POLBLMNAKMT2AALDH1A1CYP2C19
SCHEMBL11176229 0.94 POLB (0.55) POLBLMNAKMT2AALDH1A1CYP2C19
SCHEMBL22607620 0.87 POLB (0.50) POLBLMNAKMT2AALDH1A1CYP2C19
SCHEMBL11488746 0.83 POLB (0.44) POLBLMNAKMT2AALDH1A1CYP2C19
SCHEMBL8038810 0.82 POLB (0.63) POLBLMNAKMT2AALDH1A1CYP2C19
SCHEMBL11171744 0.82 TP53 (0.47) POLBLMNAKMT2ATP53MDM2
SCHEMBL11171739 0.82 TP53 (0.47) POLBLMNAKMT2ATP53MDM2
SCHEMBL24804649 0.81 LMNA (0.52) POLBLMNAKMT2AALDH1A1CYP2C19
SCHEMBL29865166 0.81 LMNA (0.52) POLBLMNAKMT2AALDH1A1CYP2C19

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-4391800-A Immunologically active peptidyl disaccharides and methods of preparation MERCK & CO., INC. (US) 1983-07-05 — — US disclosed
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