SCHEMBL27842011

SCHEMBL27842011

CC(O)(O)CCCC(=O)O.[CaH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SLC22A6 Q4U2R8 2/20 0.48
TSHR P16473 5/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
AKR1B1 P15121 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6554853 0.97 LMNA (0.50) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL27654619 0.95 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
Adipic Acid SCHEMBL3690204 0.84 AKR1B1 (0.62) LMNASLC22A6TSHRAKR1B1GPR84
Sebacic Acid SCHEMBL28729977 0.82 GPR84 (0.64) LMNASLC22A6TSHRAKR1B1GPR84
SCHEMBL381203 0.82 LMNA (0.50) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2331455 0.81
SCHEMBL2427620 0.80 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL7086369 0.80 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1572851 0.79 LMNA (0.53) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL14359877 0.79 TDP1 (0.54) LMNASLC22A6TSHRNFKB1PMP22

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
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 CN disclosed
CN-102007118-A Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN disclosed