SCHEMBL20748418

SCHEMBL20748418

CCC1OC(CO)C(OC(C)C)C(O)C1N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
LRAT O95237 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL13475415 0.83 MAPK1 (0.32) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL12872378 0.82 OGA (0.38) MEN1LRATTRPV1
SCHEMBL19529414 0.80 L3MBTL1 (0.31) MAPK1CA1CA2CA9
SCHEMBL26007211 0.78 L3MBTL1 (0.30)
SCHEMBL18805936 0.77 LGALS1 (0.38) ALDH1A1CA1CA2CA9MEN1
SCHEMBL24207733 0.77
SCHEMBL21783074 0.76 MAPK1 (0.41) ALDH1A1THRBMAPK1
SCHEMBL24758832 0.76 MAPK1 (0.41) ALDH1A1THRBMAPK1
SCHEMBL22460829 0.76 LGALS1 (0.41) CA1CA2CA9
SCHEMBL13471603 0.76 LGALS1 (0.41) CA1CA2CA9

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