SCHEMBL25845502

SCHEMBL25845502

Nc1cc(OC=O)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 7/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IDO1 P14902 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
PPM1B O75688 1/20 0.44
KMT2A Q03164 4/20 0.40
GFER P55789 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
THRB P10828 3/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL13680103 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10TDP1ALOX15
SCHEMBL714478 0.81 NR4A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL17618927 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL27944766 0.79 SMN1; SMN2 (0.53) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL15958587 0.79 HTT (0.44) ALDH1A1KDM4ETDP1POLB
SCHEMBL16263288 0.79 LCK (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL147211 0.78 SMN1; SMN2 (0.54) ALDH1A1KDM4EHPGDTDP1CYP3A4
SCHEMBL16852603 0.77 PPM1B (0.54) ALDH1A1KDM4EHPGDHSD17B10IDO1
SCHEMBL7295648 0.77 NR4A1 (0.56) ALDH1A1KDM4ETDP1CYP3A4ALOX15
SCHEMBL15425835 0.76 PTGS2 (0.52) ALDH1A1KDM4EHPGDHSD17B10TDP1

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
US-11702556-B2 Aqueous ink, ink cartridge and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2023-07-18 US disclosed