SCHEMBL5796404

SCHEMBL5796404

CCOC(=O)C(C)(CCO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.50
CYP4A11 Q02928 4/20 0.50
MMP8 P22894 2/20 0.43
PKM P14618 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 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
SCHEMBL13662689 0.90 CYP4F2 (0.55) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL31650821 0.82 CYP4F2 (0.44) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL11300530 0.82 CYP4F2 (0.44) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL3166224 0.81 MMP8 (0.47) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL16599204 0.81 MMP8 (0.45) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL3183177 0.79 PKM (0.40) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL1855323 0.79 CYP4F2 (0.42) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL3184421 0.78 MMP8 (0.39) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL3278342 0.78 CYP4F2 (0.45) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL4458794 0.78 TSHR (0.40) CYP4F2CYP4A11MEN1KMT2ATHRB

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