SCHEMBL5070616

SCHEMBL5070616

CCCCC(N)(N)OOC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
SMPD1 P17405 4/20 0.34
PAM P19021 2/20 0.32
ALOX15 P16050 2/20 0.32
AKR1B1 P15121 1/20 0.32
PPARG P37231 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
TSHR P16473 2/20 0.31
GPR84 Q9NQS5 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
TLR2 O60603 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
FABP4 P15090 1/20 0.31
PTPN1 P18031 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
SCHEMBL1069757 0.78 PAM (0.33) FDPSPAMALOX15AKR1B1PPARG
SCHEMBL2230483 0.71 FDPS (0.42) FDPSSMPD1ALOX15AKR1B1PPARG
SCHEMBL28608096 0.69 PAM (0.31) PAMAKR1B1
Bicarbonate SCHEMBL4357070 0.69 FDPS (0.48) FDPSSMPD1ALOX15AKR1B1PPARG
SCHEMBL7025612 0.68 LMNA (0.36) ALDH1A1HSD17B10
SCHEMBL20580485 0.68 FDPS (0.39) FDPSPAMALOX15AKR1B1PPARG
Dodecane SCHEMBL5830464 0.68 GPR84 (0.55) ALOX15AKR1B1PPARGPPARDPPARA
Heptane SCHEMBL11568184 0.68 GPR84 (0.55) ALOX15AKR1B1PPARGPPARDPPARA
Octane SCHEMBL11146808 0.68 GPR84 (0.55) ALOX15AKR1B1PPARGPPARDPPARA
SCHEMBL29213072 0.68 GPR84 (0.55) ALOX15AKR1B1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587523-A4 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2008-10-22 EP disclosed
EP-1482987-A4 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2007-03-07 EP disclosed
EP-1587523-A2 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2005-10-26 EP disclosed
EP-1482987-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2004-12-08 EP disclosed
WO-2004064595-A2 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL BV (NL) 2004-08-05 WO disclosed
WO-2003084574-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL BV (NL) 2003-10-16 WO disclosed