SCHEMBL9435858

SCHEMBL9435858

CC(=O)OCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
TSHR P16473 2/20 0.61
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TP53 P04637 1/20 0.60
HTT P42858 2/20 0.59
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PLA2G4B P0C869 4/20 0.58
RARB P10826 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
PLA2G4A P47712 1/20 0.53

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
SCHEMBL27516549 0.95 RARB (0.64) PKMTSHRMAPK1USP2ALOX15
SCHEMBL22525345 0.95 RARB (0.64) PKMTSHRMAPK1USP2ALOX15
SCHEMBL3654444 0.91 HTT (0.71) PKMTSHRMAPK1USP2ALOX15
SCHEMBL17011401 0.91 RARB (0.72) PKMTSHRMAPK1USP2ALOX15
SCHEMBL10030181 0.89 L3MBTL1 (0.55) PKMTSHRTP53L3MBTL1ALDH1A1
SCHEMBL2696204 0.87 L3MBTL1 (0.72) PKMPOLBL3MBTL1ALDH1A1GAA
SCHEMBL196110 0.87 PKM (0.88) PKMTSHRMAPK1USP2ALOX15
SCHEMBL9808670 0.85 GAA (0.66) PKMMAPK1HTTL3MBTL1ALDH1A1
SCHEMBL6832472 0.84 PARP10 (0.67) L3MBTL1ALDH1A1GAAMAPT
SCHEMBL12377207 0.84 HTT (0.82) PKMTSHRMAPK1USP2ALOX15

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
JP-6344663-A None JP disclosed
JP-H06344663-A THERMAL RECORDING MATERIAL MITSUI TOATSU CHEM INC 1994-12-20 JP disclosed