SCHEMBL3968607

SCHEMBL3968607

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 6/20 0.34
TRPA1 O75762 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NLRP3 Q96P20 1/20 0.34
TSHR P16473 2/20 0.33
CYP2C9 P11712 2/20 0.33
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.32
GLA P06280 1/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 2/20 0.31
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
SCHEMBL31539981 0.85 KDM4E (0.36) MGAMGAASIMGAM2POLB
SCHEMBL70685 0.82
SCHEMBL6750259 0.80
SCHEMBL28807956 0.80 MGAM (0.50) MGAMGAASIMGAM2KDM4E
Ammonia Solution, Strong SCHEMBL8823685 0.80
Hydrochloric Acid SCHEMBL25408509 0.80
SCHEMBL3370470 0.80
Alcohol SCHEMBL28652002 0.78 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11063668 0.78
SCHEMBL21439839 0.77 MCL1 (0.34) MCL1

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
WO-2009044409-A2 NOVEL RESOLUTION PROCESS FOR PREGABALIN NATCO PHARMA LIMITED (IN) 2009-04-09 WO disclosed