SCHEMBL28088282

SCHEMBL28088282

O=C(O)CCOB(O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KEAP1 Q14145 1/20 0.38
PPARA Q07869 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SRD5A2 P31213 1/20 0.37
NR4A2 P43354 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL28346397 0.79 ALDH1A1 (0.52) ALOX15HDAC1HDAC2LTA4H
SCHEMBL4860138 0.78 LTA4H (0.40) LMNALTA4H
SCHEMBL3729896 0.75 LTA4H (0.50) L3MBTL1PPARALTA4H
SCHEMBL15544573 0.75 ALDH1A1 (0.40) ALOX15LMNALTA4H
SCHEMBL29008229 0.74 LMNA (0.43) FFAR1ALOX15LMNAL3MBTL1KEAP1
SCHEMBL5368924 0.74 HRH1 (0.38) LMNA
Boric Acid SCHEMBL28209851 0.74 LTA4H (0.49) L3MBTL1PPARALTA4H
SCHEMBL4849454 0.74 LTA4H (0.50) LMNALTA4H
SCHEMBL5381406 0.74 IDO1 (0.47) FFAR1LMNAHDAC1HDAC2LTA4H
SCHEMBL1878004 0.73 CA1 (0.46) ALOX15LMNALTA4H

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
CN-104804463-B Near-infrared fluorescent stain and preparation method and application for target tumor tissue 西安交通大学第附属医院 2016-08-24 CN disclosed