SCHEMBL4422298

SCHEMBL4422298

CC1C=CC(O)CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GABRR1 P24046 5/20 0.36
GRM2 Q14416 3/20 0.35
GRM3 Q14832 2/20 0.32
FFAR1 O14842 2/20 0.32
GABRR2 P28476 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL4422295 1.00 POLB (0.44) POLBTDP1CTDSP1ALDH1A1LMNA
SCHEMBL13077342 0.80 POLB (0.46) POLBTDP1CTDSP1ALDH1A1LMNA
SCHEMBL27438497 0.78 POLB (0.44) POLBTDP1CTDSP1ALDH1A1LMNA
Acetic Acid SCHEMBL9079975 0.71 FFAR3 (0.41) POLBTDP1CTDSP1EGLN1
SCHEMBL12812171 0.69
SCHEMBL13711173 0.69
SCHEMBL28612387 0.65 MAPT (0.40) POLBTDP1CTDSP1ALDH1A1LMNA
SCHEMBL28613678 0.65 MAPT (0.40) POLBTDP1CTDSP1ALDH1A1LMNA
SCHEMBL1688785 0.65
SCHEMBL440352 0.65

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-2036936-B1 OXYGEN-ABSORBING RESIN, OXYGEN-ABSORBING RESIN COMPOSITIONS AND OXYGEN-ABSORBING CONTAINERS TOYO SEIKAN GROUP HOLDINGS LTD (JP) 2018-06-06 EP disclosed
CN-101466761-B Oxygen-absorbing resin, oxygen-absorbing resin compositions and oxygen-absorbing containers TOYO SEIKAN KAISHA LTD 2012-06-13 CN disclosed
CN-101466761-A Oxygen-absorbing resin, oxygen-absorbing resin compositions and oxygen-absorbing containers TOYO SEIKAN KAISHA LTD (JP) 2009-06-24 CN disclosed
EP-2036936-A1 OXYGEN-ABSORBING RESIN, OXYGEN-ABSORBING RESIN COMPOSITIONS AND OXYGEN-ABSORBING CONTAINERS Toyo Seikan Kaisha, Ltd. (JP) 2009-03-18 EP disclosed