SCHEMBL6516446

SCHEMBL6516446

O=C[C@@]1(O)C(c2ccccc2)[C@@](O)(CO)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
ABCB1 P08183 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CHRNA7 P36544 1/20 0.30
GAA P10253 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
SCHEMBL2353574 0.70 ABCB1 (0.33) KDM1AABCB1
SCHEMBL3441508 0.67 ABCB1 (0.33) KDM1AABCB1ALDH1A1CHRNA7
SCHEMBL9489237 0.67 KDM1A (0.44) KDM1AABCB1ALDH1A1CHRNA7GAA
SCHEMBL9809755 0.66 CPA1 (0.34) ALDH1A1
SCHEMBL10706515 0.59 ABCB1 (0.37) KDM1AABCB1ALDH1A1
SCHEMBL9679091 0.59 ABCB1 (0.37) KDM1AABCB1ALDH1A1
SCHEMBL720618 0.59 ABCB1 (0.37) KDM1AABCB1ALDH1A1
SCHEMBL9558947 0.56 KDM1A (0.34) KDM1ACHRNA7
SCHEMBL17107218 0.56 KDM1A (0.41) KDM1AABCB1ALDH1A1
SCHEMBL23393891 0.55 CHRNA7 (0.44) KDM1AALDH1A1CHRNA7

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-1554299-A2 NOVEL PENTOSE DERIVATIVES AS ANTI-HYPERGLYCEMIC DRUGS Yissum Research Development Company of the Hebrew University of Jerusalem (IL) 2005-07-20 EP disclosed
WO-2004034960-A2 NOVEL PENTOSE DERIVATIVES AS ANTI-HYPERGLYCEMIC DRUGS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-04-29 WO disclosed