SCHEMBL6025476

SCHEMBL6025476

O=C(CBr)OCC(=O)ON1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 3/20 0.35
RAB9A P51151 3/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.33
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4858555 0.87 L3MBTL1 (0.44) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL7097513 0.77 MAPT (0.36) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL1194369 0.75 TSHR (0.46) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL9162523 0.74 L3MBTL1 (0.45) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL8159185 0.72 L3MBTL1 (0.39) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL14812491 0.72 L3MBTL1 (0.39) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL27547929 0.72 KDM4E (0.41) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL9204997 0.72 L3MBTL1 (0.39) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL2963308 0.72 TSHR (0.46) L3MBTL1TSHRALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL20599523 0.71 TSHR (0.44) L3MBTL1TSHRALDH1A1LMNAPOLB

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
EP-1701945-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF Applera Corporation (US) 2006-09-20 EP disclosed
WO-2005068446-A1 LABELING REAGENTS, LABELED ANALYTES, INCLUDING MIXTURES THEREOF, AND FRAGMENT IONS DERIVED THEREFROM AND METHODS FOR THE ANALYSIS THEREOF APPLERA CORPORATION (US) 2005-07-28 WO disclosed