SCHEMBL10933997

SCHEMBL10933997

CC(=O)C(O)[C@H]1O[C@@H](Sc2ccccc2C(=O)O)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)[C@@H]1O[C@H](C(O)C(C)=O)[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]1(O)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10933713 0.80
SCHEMBL16897745 0.79 MEN1 (0.30)
SCHEMBL7999401 0.79 MEN1 (0.30)
SCHEMBL8416405 0.79 MEN1 (0.30)
SCHEMBL11207429 0.79
SCHEMBL11103581 0.72
SCHEMBL9084446 0.72 IDO1 (0.35)
SCHEMBL11116407 0.70
SCHEMBL10977715 0.67
SCHEMBL9789419 0.67

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153392-A1 POLY-CATION SALTS OF 4-O-POLYHEXAOSE-THIO-ARYLENE SULFATES AMERICAN CYANAMID COMPANY (US) 1985-09-04 EP disclosed
WO-1985000972-A1 POLY-CATION SALTS OF 4-O-POLYHEXAOSE-THIO-ARYLENE SULFATES AMERICAN CYANAMID COMPANY (US) 1985-03-14 WO disclosed