SCHEMBL17227495

SCHEMBL17227495

CC(=O)OCC1O[C@@H](OCC(COCc2ccccc2)NC(=O)OCC(Cl)(Cl)Cl)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ CYP2D6 P10635 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TGM2 P21980 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ SELP P16109 1/20 0.36
▸ KLK7 P49862 1/20 0.35
▸ KLK5 Q9Y337 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3930953 0.94 LMNA (0.46) LMNAKMT2APOLBCYP2D6ALDH1A1
SCHEMBL3930947 0.94 LMNA (0.46) LMNAKMT2APOLBCYP2D6ALDH1A1
SCHEMBL3938254 0.88 LMNA (0.48) LMNAKMT2APOLBCYP2D6ALDH1A1
SCHEMBL3938256 0.88 LMNA (0.48) LMNAKMT2APOLBCYP2D6ALDH1A1
SCHEMBL15501143 0.81 ANPEP (0.38) KMT2APOLBMAPTKDM4E
SCHEMBL2003089 0.81 ANPEP (0.38) KMT2APOLBMAPTKDM4E
SCHEMBL2003090 0.81 ANPEP (0.38) KMT2APOLBMAPTKDM4E
SCHEMBL28474870 0.81 LMNA (0.58) LMNAKMT2APOLBCYP2D6ALDH1A1
SCHEMBL28474871 0.81 LMNA (0.58) LMNAKMT2APOLBCYP2D6ALDH1A1
SCHEMBL29961368 0.81 LMNA (0.58) LMNAKMT2APOLBCYP2D6ALDH1A1

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
EP-2940028-A1 CERTAIN AMINOALKYL GLUCOSAMINIDE PHOSPHATE COMPOUNDS AND THEIR USE CORIXA CORPORATION (US) 2015-11-04 — — EP disclosed
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