SCHEMBL21623928

SCHEMBL21623928

O=C(NCc1ccc(O)c(O)c1)c1cccc(O)c1O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 10/20 0.63
ERCC4 Q92889 10/20 0.63
ALPL P05186 1/20 0.58
MT-CO2 P00403 2/20 0.57
ALOX5 P09917 1/20 0.55
PIM1 P11309 1/20 0.54
ALPG P10696 1/20 0.52
TERT O14746 1/20 0.51
TOP1 P11387 1/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49

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
SCHEMBL30519963 1.00 ERCC1 (0.63) ERCC1ERCC4ALPLMT-CO2ALOX5
SCHEMBL30686688 0.89 ALOX5 (0.60) ALOX5TERTAPEX1
SCHEMBL24402990 0.89 ALOX5 (0.60) ALOX5TERTAPEX1
SCHEMBL1470838 0.87 ALOX5 (0.62) ALOX5TERTAPEX1
SCHEMBL14698338 0.83 APEX1 (0.59) ALOX5ALOX15APEX1
SCHEMBL14081423 0.82 MT-CO2 (0.65) ERCC1ERCC4ALPLMT-CO2ALPG
SCHEMBL30520585 0.82 APEX1 (0.58) ALOX5ALOX15APEX1
SCHEMBL21623922 0.82 APEX1 (0.58) ALOX5ALOX15APEX1
SCHEMBL3192733 0.82 KMT2A (0.67) ALOX5APEX1
SCHEMBL18285049 0.82 ALOX5 (0.53) ALOX5TERT

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