SCHEMBL5795754

SCHEMBL5795754

O=C1Cc2cc(ccc2O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 2/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPN P05981 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIRT5 Q9NXA8 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
SCHEMBL23915085 0.71 GABRA1 (0.37) MAOBMAPTALOX15HSD17B10L3MBTL1
SCHEMBL18093469 0.70 TSHR (0.35) ALOX15TSHRTDP1
SCHEMBL7414813 0.70 CA12 (0.38)
SCHEMBL11477205 0.68 PSMB5 (0.43)
SCHEMBL10896247 0.67 MAPKAPK2 (0.41) MAOAMAOB
Homogenestic Acid Lactone SCHEMBL2460842 0.64 MAOA (0.49) MAOAMAOBMAPTHSD17B10MEN1
Homogenestic Acid Lactone SCHEMBL31756861 0.64 MAOA (0.49) MAOAMAOBMAPTHSD17B10MEN1
SCHEMBL1430479 0.64 ESR2 (0.46) MAOAMAOBMAPTHSD17B10MEN1
SCHEMBL5539483 0.64 MEN1 (0.47) MAOAMAOBMAPTALOX15HSD17B10
SCHEMBL29957560 0.63 CA12 (0.34) MAPTMEN1USP2ALDH1A1THRB

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