SCHEMBL6048089

SCHEMBL6048089

CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@@H](COC(=O)c3ccccc3)O[C@H](OC(C)=O)[C@@](O)(C(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
PAX8 Q06710 1/20 0.45
PRKCA P17252 1/20 0.45
AKT1 P31749 1/20 0.45
PTK2 Q05397 1/20 0.45
LMNA P02545 2/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 1/20 0.42
ANTXR2 P58335 1/20 0.42
PTPN1 P18031 1/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 2/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6909041 0.84 ALDH1A1 (0.44) TSHRKMT2AMEN1USP2POLB
SCHEMBL6910415 0.84 ALDH1A1 (0.44) TSHRKMT2AMEN1USP2POLB
SCHEMBL1775055 0.84 ANTXR2 (0.41) PAX8CA1CA2CA9ANTXR2
SCHEMBL1777390 0.84 ANTXR2 (0.46) PAX8CA1CA2CA9ANTXR2
SCHEMBL5802712 0.79 TSHR (0.53) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL5802716 0.79 TSHR (0.53) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL13617226 0.78 TSHR (0.64) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL14429320 0.78 TSHR (0.64) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL7150637 0.78 TSHR (0.63) TSHRPAX8PRKCAAKT1PTK2
SCHEMBL22866476 0.78 TSHR (0.63) TSHRPAX8PRKCAAKT1PTK2

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-2006055437-A2 SYNTHESIS AND USE OF GLYCODENDRIMER REAGENTS GENENCOR INTERNATIONAL, INC. (US) 2006-05-26 WO disclosed