SCHEMBL4381244

SCHEMBL4381244

CCC(=O)OSC(=O)CN1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 2/20 0.32
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31

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
SCHEMBL4381249 0.75 TSHR (0.38) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL16841649 0.70 TSHR (0.42) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL20969054 0.69 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL43959 0.69 TSHR (0.39) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL18825277 0.69 GSK3A (0.61) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2754581 0.69 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL17595174 0.68 TSHR (0.38) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL4671579 0.68 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL1824401 0.68 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL15693392 0.68 KMT2A (0.51) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629295-B2 Determination of a specific immunoglobulin using multiple antigens ROCHE DIAGNOSTICS GMBH (DE) 2009-12-08 US disclosed
US-20050074750-A1 Determination of a specific immunoglobulin using multiple antigens WIENHUES URSULA-HENRIKE (DE) 2005-04-07 US disclosed
US-6613530-B1 Epitopes; antibodies; amino acid sequences; haptens; genetic engineering; chelate compounds; biotin; carriers; use in detection of HIV or Hepatitis C-virus antibodies in liquid sample incubated in presence of solid phase and two antigens ROCHE DIAGNOSTICS GMBH (DE) 2003-09-02 US disclosed