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SCHEMBL12871568

SCHEMBL12871568

CC(=O)NC1[C@H](O[C@@H]2C(OC(=O)c3ccccc3)[C@H](C(C)C)OC(COC(C)=O)[C@@H]2OC(C)=O)OC(COC(C)=O)[C@@H](O[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C2O[C@@H]2OC(C)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PAX8 Q06710 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MMP12 P39900 1/20 0.41
▸ CA12 O43570 9/20 0.41
▸ CA1 P00915 9/20 0.41
▸ CA2 P00918 9/20 0.41
▸ CA9 Q16790 9/20 0.41
▸ CA14 Q9ULX7 5/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL16084696 0.94 LMNA (0.54) LMNAKMT2APOLBALDH1A1PAX8
SCHEMBL12871553 0.91 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL12885740 0.91 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL13038846 0.91 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL13038834 0.91 LMNA (0.46) LMNAKMT2APOLBALDH1A1CA12
SCHEMBL13038836 0.87 LMNA (0.41) LMNAKMT2APOLBALDH1A1PAX8
SCHEMBL13814376 0.84 LMNA (0.46) LMNAKMT2APOLBALDH1A1PAX8
SCHEMBL12983536 0.83 LMNA (0.50) LMNAKMT2APOLBALDH1A1PRKCA
SCHEMBL15417832 0.80 LMNA (0.44) LMNAKMT2APOLBALDH1A1PAX8
SCHEMBL15417845 0.80 LMNA (0.46) LMNAKMT2APOLBALDH1A1PRKCA

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-7879335-B1 Glycoconjugates, glycoamino acids, intermediates thereto, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-02-01 — — US disclosed
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