SCHEMBL2441490

SCHEMBL2441490

O=C(O)CCCCC(=O)C(=O)O.O=CCCCCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
SLC13A3 Q8WWT9 1/20 0.54
EGLN1 Q9GZT9 1/20 0.54
OR51E2 Q9H255 1/20 0.54
MAPT P10636 3/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
PPARG P37231 4/20 0.44
PPARD Q03181 4/20 0.44
PPARA Q07869 4/20 0.44
TERT O14746 3/20 0.44
PTPN1 P18031 3/20 0.44
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
BLM P54132 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FABP4 P15090 2/20 0.44

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
SCHEMBL14386822 0.93 MAPK1 (0.48) MAPK1SLC13A3EGLN1OR51E2MAPT
SCHEMBL21600769 0.91 MAPK1 (0.46) MAPK1SLC13A3EGLN1OR51E2MAPT
SCHEMBL11678127 0.91 MAPK1 (0.46) MAPK1SLC13A3EGLN1OR51E2MAPT
SCHEMBL23174677 0.91 MAPK1 (0.46) MAPK1SLC13A3EGLN1OR51E2MAPT
SCHEMBL28777797 0.91 MAPK1 (0.46) MAPK1SLC13A3EGLN1OR51E2MAPT
SCHEMBL11676576 0.89 MAPT (0.56) MAPTABCC4LMNATSHRNFKB1
SCHEMBL151085 0.89 LMNA (0.61) EGLN1MAPTABCC4LMNATSHR
SCHEMBL87720 0.89
SCHEMBL17744969 0.86 LMNA (0.63) MAPTABCC4LMNATSHRNFKB1
SCHEMBL258956 0.86 LMNA (0.63) MAPTABCC4LMNATSHRNFKB1

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-2366026-A2 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM ALPHA KETOACIDS Celexion, Llc (US) 2011-09-21 EP disclosed
WO-2010068944-A2 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2010-06-17 WO disclosed