SCHEMBL3046866

SCHEMBL3046866

CC1(OC(=O)O)C(OC(=O)O)CCC1OC(=O)O

nearest known ligand 0.30

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
STAT6 P42226 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11499512 0.75 CYP3A4 (0.30)
SCHEMBL6249302 0.75 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL6568129 0.72
SCHEMBL9704318 0.72
SCHEMBL8979662 0.72
SCHEMBL7016711 0.71 MAPT (0.34) CYP2C19LMNA
SCHEMBL15519320 0.69 CYP3A4 (0.33)
SCHEMBL15520040 0.67
SCHEMBL3267324 0.67 SCN1A (0.30) CYP2C19
SCHEMBL5880685 0.65 CYP17A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398758-A1 REACTIVE EXTRACTION OF FREE ORGANIC ACIDS FROM AMMONIUM SALTS THEREOF Evonik Degussa GmbH (DE) 2011-12-28 EP claimed
WO-2010094630-A1 REACTIVE EXTRACTION OF FREE ORGANIC ACIDS FROM AMMONIUM SALTS THEREOF EVONIK DEGUSSA GMBH (DE) 2010-08-26 WO claimed
EP-2398757-A1 METHOD FOR PRODUCING A FREE ACID FROM THE SALT THEREOF Evonik Degussa GmbH (DE) 2011-12-28 EP disclosed
EP-2398758-A1 REACTIVE EXTRACTION OF FREE ORGANIC ACIDS FROM AMMONIUM SALTS THEREOF Evonik Degussa GmbH (DE) 2011-12-28 EP disclosed
WO-2010094554-A1 METHOD FOR PRODUCING A FREE ACID FROM THE SALT THEREOF EVONIK DEGUSSA GMBH (DE) 2010-08-26 WO disclosed
WO-2010094630-A1 REACTIVE EXTRACTION OF FREE ORGANIC ACIDS FROM AMMONIUM SALTS THEREOF EVONIK DEGUSSA GMBH (DE) 2010-08-26 WO disclosed
EP-0504660-B1 Liquid crystal compounds BASF AG (DE) 1998-08-19 EP disclosed
EP-0528268-B1 Optically active esters of phenoxypropionic acid BASF AG (DE) 1997-01-08 EP disclosed
EP-0630945-B1 Use of reticulated azo dyes in non-linear optics BASF AG (DE) 1996-10-09 EP disclosed
EP-0630945-A1 Use of reticulated azo dyes in non-linear optics BASF Aktiengesellschaft (DE) 1994-12-28 EP disclosed
EP-0583605-A1 Defined oligomeric liquid crystalline compounds with smectic liquid crystalline phases BASF Aktiengesellschaft (DE) 1994-02-23 EP disclosed
EP-0528268-A2 Optically active esters of phenoxypropionic acid BASF Aktiengesellschaft (DE) 1993-02-24 EP disclosed
EP-0504660-A2 Liquid crystal compounds BASF Aktiengesellschaft (DE) 1992-09-23 EP disclosed