SCHEMBL8717031

SCHEMBL8717031

CCOc1cc(N)ccc1C(=O)O.CCOc1ccc(N)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
HSD17B10 Q99714 3/20 0.50
TSHR P16473 3/20 0.50
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
USP2 O75604 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
THRB P10828 2/20 0.45
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
APEX1 P27695 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
SCHEMBL578910 0.94 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL727942 0.94 HSD17B10 (0.56) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL9363457 0.83 PTPN11 (0.57) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL4612211 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL732667 0.81 MAPT (0.58) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL730027 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL24074069 0.81 TSHR (0.61) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL6154000 0.81 MKNK1 (0.55) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL15487159 0.81 MAPT (0.53) ALDH1A1KDM4EMAPTGAAHSD17B10
Hydrochloric Acid SCHEMBL11340459 0.80 CYP3A4 (0.59) ALDH1A1KDM4EMAPTGAAHSD17B10

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-0870082-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA (US) 1998-10-14 EP disclosed
WO-1997023684-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed