SCHEMBL8718150

SCHEMBL8718150

COc1c(N)cccc1C(=O)O.COc1cc(N)ccc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.44
NEK2 P51955 1/20 0.44
HSD17B10 Q99714 1/20 0.43
APEX1 P27695 2/20 0.43
CHEK1 O14757 1/20 0.43
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL31226473 0.85 MMP2 (0.55) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL98089 0.85 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL1708883 0.85 MMP2 (0.55) ALDH1A1MAPTKDM4EHPGDTDP1
Hydrochloric Acid SCHEMBL29744423 0.83 MMP2 (0.53) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL27995741 0.83 MMP2 (0.53) ALDH1A1MAPTKDM4EHPGDTDP1
Mesalamine SCHEMBL8720354 0.83 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL8720351 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL8718148 0.77 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL10607658 0.77 SMN1; SMN2 (0.57) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL152563 0.73 MAPT (0.59) ALDH1A1MAPTKDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873444-A1 ENZYMATIC METHOD FOR TEXTILE DYEING Novo Nordisk Biochem North America (US) 1998-10-28 EP disclosed
WO-1997023685-A1 ENZYMATIC METHOD FOR TEXTILE DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed