SCHEMBL3834685

SCHEMBL3834685

CCCC(=O)OC(C)OC(=O)CCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
AKR1B1 P15121 1/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 5/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3835749 0.98 LMNA (0.56) LMNAAKR1B1GPR84PPARGPPARD
SCHEMBL7650406 0.96 TSHR (0.50) LMNAAKR1B1GPR84PPARGPPARD
SCHEMBL3834688 0.92 LMNA (0.61) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL27611225 0.91 LMNA (0.67) LMNAAKR1B1GPR84PPARGPPARD
SCHEMBL3834694 0.91 LMNA (0.67) LMNAAKR1B1GPR84PPARGPPARD
SCHEMBL3835895 0.91 LMNA (0.67) LMNAAKR1B1GPR84PPARGPPARD
SCHEMBL27593161 0.91 LMNA (0.67) LMNAAKR1B1GPR84PPARGPPARD
SCHEMBL3835751 0.90 LMNA (0.64) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL3836318 0.89 LMNA (0.48) LMNAAKR1B1GPR84PPARGPPARD
SCHEMBL12804115 0.88 TSHR (0.48) LMNAAKR1B1GPR84PPARGPPARD

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-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP disclosed
EP-1448508-A1 DOUBLE ESTERS Photocure ASA (NO) 2004-08-25 EP disclosed
WO-2003045893-A1 DOUBLE ESTERS PHOTOCURE ASA (NO) 2003-06-05 WO disclosed