SCHEMBL21623925

SCHEMBL21623925

CCOc1cc(CNC(=O)c2cccc(O)c2O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 6/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 4/20 0.48
RAB9A P51151 1/20 0.48
APEX1 P27695 1/20 0.48
HCRTR1 O43613 2/20 0.47
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL14698338 0.87 APEX1 (0.59) HPGDLMNAALDH1A1ALOX15APEX1
SCHEMBL21623922 0.86 APEX1 (0.58) HPGDLMNAALDH1A1ALOX15APEX1
SCHEMBL30520585 0.86 APEX1 (0.58) HPGDLMNAALDH1A1ALOX15APEX1
SCHEMBL898978 0.85 HPGD (0.47) HPGDLMNAPOLBKMT2AMAPT
SCHEMBL21623928 0.81 ERCC1 (0.63) ALOX15APEX1ALOX5
SCHEMBL30519963 0.81 ERCC1 (0.63) ALOX15APEX1ALOX5
SCHEMBL24402990 0.79 ALOX5 (0.60) HPGDLMNAPOLBKMT2AGAA
SCHEMBL30686688 0.79 ALOX5 (0.60) HPGDLMNAPOLBKMT2AGAA
SCHEMBL2853316 0.79 ALDH1A1 (0.52) HPGDKMT2AMAPTGAAKDM4E
SCHEMBL1031773 0.78 TRPV1 (0.59) HPGDLMNAALDH1A1ALOX15APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911172-A1 COMBINATION REMEDY Symrise AG (DE) 2021-11-24 EP disclosed
EP-3823455-A1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS Symrise AG (DE) 2021-05-26 EP disclosed
WO-2020147977-A1 COMBINATION REMEDY SYMRISE AG (DE) 2020-07-23 WO disclosed
WO-2020015816-A1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS SYMRISE AG (DE) 2020-01-23 WO disclosed