SCHEMBL2725840

SCHEMBL2725840

CCOC(=O)CC(C#N)(CC(C)C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
ACP1 P24666 1/20 0.33
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 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
SCHEMBL2638021 0.91 MMP8 (0.43) MMP8ALDH1A1TSHRGAAMGAM
SCHEMBL4968775 0.84 LMNA (0.30) LMNA
SCHEMBL2732715 0.83 TDP1 (0.37) MMP8ALDH1A1TSHRMEN1KMT2A
SCHEMBL4377134 0.80 MMP8 (0.36) MMP8ALDH1A1TSHRGAAMGAM
SCHEMBL4382740 0.79 MEN1 (0.37) MMP8ALDH1A1TSHRGAAMGAM
SCHEMBL2410161 0.79 MMP8 (0.49) MMP8ALDH1A1TSHRGAAMGAM
SCHEMBL14016347 0.77 MEN1 (0.46) ALDH1A1TSHRGAAMGAMSI
SCHEMBL4380430 0.77 MEN1 (0.36) MMP8ALDH1A1TSHRGAAMGAM
SCHEMBL28464690 0.77 MEN1 (0.41) MMP8ALDH1A1TSHRGAAMGAM
SCHEMBL28963018 0.76 MMP8 (0.46) MMP8ALDH1A1TSHRGAAMGAM

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
WO-2012059797-A1 PROCESS FOR SYNTHESIS OF (S) - PREGABALIN LUPIN LIMITED (IN) 2012-05-10 WO disclosed
WO-2012059797-A1 PROCESS FOR SYNTHESIS OF (S) - PREGABALIN LUPIN LIMITED (IN) 2012-05-10 WO disclosed