SCHEMBL27892113

SCHEMBL27892113

CCC(=O)C(=N)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.45
LMNA P02545 2/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.45
FFAR3 O14843 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
OR51E2 Q9H255 2/20 0.42
SLC15A2 Q16348 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC13A3 Q8WWT9 1/20 0.42
AKR1B1 P15121 1/20 0.39
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37

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
SCHEMBL27604492 0.86 AKR1B1 (0.52) LMNAOR51E2AKR1B1GPR84PPARG
SCHEMBL28796526 0.86 SLC22A6 (0.50) LMNAOR51E2AKR1B1GPR84PPARG
Butyric Acid SCHEMBL27867181 0.81 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL27760036 0.79
Valeric Acid SCHEMBL27867183 0.78 AKR1B1 (0.54) LMNAOR51E2AKR1B1GPR84PPARG
SCHEMBL27713550 0.77 FFAR3 (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5407737 0.76 EGLN1 (0.55) EGLN1LMNAALKBH5SUCNR1FFAR3
SCHEMBL27950788 0.75
SCHEMBL27474685 0.75
Succinic Acid SCHEMBL50511 0.74 FFAR3 (0.77) EGLN1LMNAALKBH5SUCNR1FFAR3

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
CN-102686564-A Pyrrolidine derivatives HOFFMANN LA ROCHE 2012-09-19 CN disclosed