SCHEMBL725384

SCHEMBL725384

CCCCCC(=O)C1OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
AKR1B1 P15121 1/20 0.43
PRKCA P17252 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL28709957 0.98 CES2 (0.46) CES2CES1PRKCAGPR84PPARG
SCHEMBL11194433 0.77 CES2 (0.46) CES2CES1AKR1B1PRKCAGPR84
SCHEMBL2356106 0.75 CES2 (0.48) CES2CES1PRKCAGPR84PPARG
SCHEMBL31347976 0.75 CES2 (0.48) CES2CES1PRKCAGPR84PPARG
SCHEMBL31347986 0.75 CES2 (0.48) CES2CES1PRKCAGPR84PPARG
SCHEMBL11122445 0.75 CES2 (0.48) CES2CES1PRKCAGPR84PPARG
SCHEMBL28104366 0.74 PRKCA (0.40) CES2CES1PRKCAGPR84PPARG
SCHEMBL27875617 0.74 PRKCA (0.40) CES2CES1PRKCAGPR84PPARG
SCHEMBL8677949 0.73 PRKCA (0.39) CES2CES1PRKCAGPR84PPARG
SCHEMBL15347928 0.72 GNAI3 (0.43) CES2CES1PRKCAGPR84PPARG

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
EP-2609426-B1 FLUORESCENCE LABELING REAGENTS AND USES THEREOF TEXAS A & M UNIV SYS (US) 2018-12-19 EP disclosed
EP-2609426-A2 FLOURESCENCE LABELING REAGENTS AND USES THEREOF The Texas A&M University System (US) 2013-07-03 EP disclosed
WO-2012027717-A2 FLOURESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-03-01 WO disclosed