SCHEMBL20748417

SCHEMBL20748417

CNC1C(O)C(OC(C)C)C(CO)OC1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL20229044 0.82 ALDH1A1 (0.43) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL14051018 0.82 ALDH1A1 (0.43) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL21535992 0.82 MAPK1 (0.34) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL25826968 0.82 MAPK1 (0.34) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL25826964 0.82 MAPK1 (0.34) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL24207455 0.79 MAPK1 (0.38) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL13475415 0.78 MAPK1 (0.32) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL19792831 0.76 ALDH1A1 (0.52) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL27422369 0.76 MAPK1 (0.40) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL25985135 0.76 MAPK1 (0.40) MAPK1ALDH1A1THRBCA1CA2

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-3272766-B1 APTAMER-MODIFIED POLYMERIC MATERIALS FOR FOR USE AS A FOAM IN A WOUND DRESSING KCI LICENSING INC (US) 2019-02-20 EP disclosed