SCHEMBL2474872

SCHEMBL2474872

CC(CCC(=O)O)CC(=O)OC(=O)CC(C)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
CYP1A2 P05177 2/20 0.46
FOLH1 Q04609 5/20 0.40
MAPT P10636 1/20 0.39
TET2 Q6N021 3/20 0.38

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
SCHEMBL9420108 0.92 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8852570 0.85 TSHR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8326296 0.85 TSHR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3584803 0.82 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20804 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL713404 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5682535 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23727482 0.80 CYP2D6 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Water SCHEMBL14109993 0.79 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL9804576 0.79 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989169-B1 PROCESS FOR MAKING MONOMENTHYL ESTERS RENESSENZ LLC (US) 2017-03-22 EP disclosed
EP-2244953-B1 PACKAGING SOLUTIONS BAUSCH & LOMB (US) 2011-10-05 EP disclosed
EP-2244953-A2 PACKAGING SOLUTIONS Bausch & Lomb Incorporated (US) 2010-11-03 EP disclosed
WO-2009089206-A2 PACKAGING SOLUTIONS BAUSCH & LOMB INCORPORATED (US) 2009-07-16 WO disclosed
US-20090173045-A1 Packaging Solutions LAI YU-CHIN 2009-07-09 US disclosed
WO-2009079224-A2 SURFACE MODIFIED BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2009-06-25 WO disclosed
US-20090156745-A1 SURFACE MODIFIED BIOMEDICAL DEVICES LAI YU-CHIN 2009-06-18 US disclosed
EP-1989169-A2 PROCESS FOR MAKING MONOMENTHYL ESTERS Millennium Specialty Chemicals, Inc. (US) 2008-11-12 EP disclosed
WO-2007100450-A2 PROCESS FOR MAKING MONOMENTHYL ESTERS MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-09-07 WO disclosed
US-7247743-B1 Process for making monomenthyl esters MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-07-24 US disclosed