SCHEMBL2866020

SCHEMBL2866020

CC1CC(O)C(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.40
GABRR2 P28476 1/20 0.34
GRM2 Q14416 2/20 0.34
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
APEX1 P27695 1/20 0.32
GRM5 P41594 1/20 0.32
PMP22 Q01453 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM3 Q14832 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2866016 1.00 GABRR1 (0.40) GABRR1GABRR2GRM2LMNAALDH1A1
SCHEMBL19788588 0.86 GABRR1 (0.37) GABRR1GABRR2GRM2LMNAALDH1A1
SCHEMBL8286216 0.84 GABRR1 (0.48) GABRR1GABRR2GRM2LMNAALDH1A1
SCHEMBL8175844 0.84 GABRR1 (0.48) GABRR1GABRR2GRM2LMNAALDH1A1
SCHEMBL28934977 0.84
SCHEMBL6580400 0.84
SCHEMBL4148216 0.83 TRPA1 (0.45) GABRR1GABRR2GRM2TRPA1TRPM8
SCHEMBL12333186 0.83 TRPA1 (0.45) GABRR1GABRR2GRM2TRPA1TRPM8
SCHEMBL2157971 0.83 TRPA1 (0.45) GABRR1GABRR2GRM2TRPA1TRPM8
SCHEMBL12276963 0.81 GABRR1 (0.50) GABRR1GABRR2GRM2LMNACYP2C9

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
US-7842361-B2 Oxygen-absorbing resin, oxygen-absorbing resin compositions and oxygen-absorbing containers TOYO SEIKAN KAISHA, LTD. (JP) 2010-11-30 US disclosed
US-20090098323-A1 OXYGEN-ABSORBING RESIN, OXYGEN-ABSORBING RESIN COMPOSITIONS AND OXYGEN-ABSORBING CONTAINERS TOYO SEIKAN KAISHA, LTD. (JP) 2009-04-16 US disclosed