SCHEMBL3294010

SCHEMBL3294010

CC(C)[C@H](NCCO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ADAMTS4 O75173 1/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
MME P08473 1/20 0.33
SDCBP O00560 1/20 0.33

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
SCHEMBL3294007 1.00 SMN1; SMN2 (0.42) SMN1; SMN2PLA2G2APLA2G5HSD17B10ALDH1A1
SCHEMBL4622349 0.88 SMN1; SMN2 (0.46) SMN1; SMN2PLA2G2APLA2G5HSD17B10ALDH1A1
SCHEMBL30001304 0.87 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2APLA2G5HSD17B10ALDH1A1
SCHEMBL3360269 0.87 SMN1; SMN2 (0.43) SMN1; SMN2PLA2G2APLA2G5HSD17B10ALDH1A1
SCHEMBL9603268 0.84 ALDH1A1 (0.37) SMN1; SMN2HSD17B10ALDH1A1TSHRMEN1
SCHEMBL24964950 0.82 SMN1; SMN2 (0.50) SMN1; SMN2PLA2G2APLA2G5HSD17B10ALDH1A1
SCHEMBL17715216 0.82 SMN1; SMN2 (0.50) SMN1; SMN2PLA2G2APLA2G5HSD17B10ALDH1A1
SCHEMBL10207610 0.82 SMN1; SMN2 (0.50) SMN1; SMN2PLA2G2APLA2G5HSD17B10ALDH1A1
SCHEMBL5074810 0.81 SMN1; SMN2 (0.40) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1
SCHEMBL5074809 0.81 SMN1; SMN2 (0.40) SMN1; SMN2PLA2G2APLA2G5ALDH1A1NPSR1

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
US-20130316926-A1 METHOD FOR THE MONITORING OF SMOKING CESSATION COMPLIANCE AND RECOVERY, THERAPEUTIC INTERVENTION, AND RISK MANAGEMENT HEALTH DIAGNOSTIC LABORATORY, INC. (US) 2013-11-28 US disclosed
US-7718437-B2 Method for analyzing N-terminal protein adducts ADDUCT ANALYS AB (SE) 2010-05-18 US disclosed
EP-1738177-B1 METHOD FOR ANALYZING N-TERMINAL PROTEIN ADDUCTS ADDUCT ANALYS AB (SE) 2009-02-11 EP disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
US-20070190659-A1 Method for analyzing n-terminal protein adducts ADDUCT ANALYS AB (SE) 2007-08-16 US disclosed