SCHEMBL3935202

SCHEMBL3935202

CCC(C#N)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
VDR P11473 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
S100A4 P26447 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL28928743 1.00 GLA (0.41) GLAVDRALDH1A1MAPTTDP1
SCHEMBL27821620 0.88 CA12 (0.44) GLAVDRALDH1A1MAPTTDP1
SCHEMBL3052582 0.86 GLA (0.42) GLAVDRALDH1A1MAPTTDP1
SCHEMBL11776072 0.85 PSIP1 (0.41) VDRALDH1A1MAPTTDP1MEN1
SCHEMBL3466693 0.84 CA1 (0.40) GLAVDRALDH1A1MAPTTDP1
SCHEMBL8368948 0.84 VDR (0.40) GLAVDRALDH1A1CYP3A4CYP2C9
SCHEMBL25224824 0.81 CA2 (0.44) VDRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1437607 0.80 GAA (0.43) GLAVDRALDH1A1MAPTTDP1
SCHEMBL14779262 0.79 GAA (0.46) VDRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1629443 0.78 ALDH1A1 (0.42) GLAVDRALDH1A1MAPTTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403500-A Preparation method of levetiracetam 上海壮铭生物医药有限公司 2022-11-29 CN disclosed
WO-2009009117-A2 CHEMOENZYMATIC PROCESSES FOR PREPARATION OF LEVETIRACETAM BIOVERDANT, INC. (US) 2009-01-15 WO disclosed
WO-2009009117-A2 CHEMOENZYMATIC PROCESSES FOR PREPARATION OF LEVETIRACETAM BIOVERDANT, INC. (US) 2009-01-15 WO disclosed
US-5179212-A PROCESS FOR THE PREPARATION OF 3-PYRROLIDINOLS AND INTERMEDIATES THEREFOR KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-01-12 US disclosed
US-3974292-A Cyanoalkyl sulfonates for the control of fungus growth SCM CORPORATION (US) 1976-08-10 US disclosed