SCHEMBL23734837

SCHEMBL23734837

COC(=O)c1cccc(C(C)(c2ccc(O)cc2)C2C=CC(O)=CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.41
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL22787141 0.80 ESR2 (0.46) ALDH1A1
SCHEMBL21183288 0.80 ESR2 (0.39) KMT2AALDH1A1MEN1
SCHEMBL20717662 0.76 P4HB (0.53) P4HBCA12CA1CA2CA9
SCHEMBL23462227 0.72 P4HB (0.38) P4HBCA12CA1CA2CA9
SCHEMBL23734903 0.71 MIF (0.32) ALDH1A1MIF
SCHEMBL9970893 0.68 MAPT (0.41) CA12CA1CA2CA9CA7
SCHEMBL1787501 0.67 ACHE (0.59) CA12CA1CA2CA9CA7
SCHEMBL2892597 0.67 TSHR (0.53) CA12CA1CA2CA9CA7
SCHEMBL17018477 0.67 LOXL2 (0.54) P4HBCA12CA1CA2CA9
SCHEMBL23734835 0.67 ESR2 (0.34) ALDH1A1

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-3580258-B1 OLIGOMERIC POLYOL COMPOSITIONS PRESIDIUM USA INC (US) 2021-08-11 EP disclosed