SCHEMBL5798686

SCHEMBL5798686

CCC1(C(=O)O)CCC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.40
PPARA Q07869 8/20 0.40
PRKCA P17252 8/20 0.37
PPARD Q03181 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL10027901 0.81 CYP2C19 (0.35) PRKCA
SCHEMBL13589960 0.81 CYP2C19 (0.35) PRKCA
SCHEMBL3524295 0.74 MAOA (0.38)
SCHEMBL3524293 0.74 MAOA (0.38)
SCHEMBL16635226 0.72 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL30613915 0.72 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL1463688 0.71 SIRT2 (0.32) SIRT2
SCHEMBL1463689 0.71 SIRT2 (0.32) SIRT2
SCHEMBL8651128 0.70 PTGS1 (0.63)
SCHEMBL11442064 0.69 CYP1A2 (0.49) PPARAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006052985-A1 LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO claimed
US-20060096158-A1 Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same ROBINSON J M 2006-05-11 US claimed
WO-2006052985-A1 LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO disclosed
US-20060096158-A1 Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same ROBINSON J M 2006-05-11 US disclosed