SCHEMBL4356953

SCHEMBL4356953

[CH2]c1cccc(C2OCCO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
HTR1A P08908 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL7323682 0.81 TAAR1 (0.46) MEN1KMT2ACYP2C19TAAR1KDM1A
SCHEMBL15279432 0.77 HTR2C (0.40) MEN1KMT2ACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11269844 0.77 TSHR (0.54) ALDH1A1SMN1; SMN2TSHRHTR1ATAAR1
SCHEMBL194639 0.75 KDM1A (0.50) MEN1KMT2ACYP2C19ALDH1A1DRD2
SCHEMBL233910 0.75 CYP3A4 (0.44) MEN1KMT2ACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL25313767 0.75 MEN1 (0.36) MEN1KMT2ACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL13818128 0.75 HTR2C (0.47) MEN1KMT2ACYP2C19ALDH1A1RAB9A
SCHEMBL31125349 0.75 DRD3 (0.53) ALDH1A1LMNADRD2DRD3
SCHEMBL5431657 0.75 TAAR1 (0.45) MEN1KMT2ATAAR1KDM1ARCOR1
SCHEMBL30439399 0.75 CYP3A4 (0.44) MEN1KMT2ACYP2C19ALDH1A1SMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4216713-B2 2009-01-28 JP claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP claimed
JP-2004536873-A 2004-12-09 JP claimed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO claimed
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 EP disclosed
EP-1608357-A4 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS XENOPORT INC (US) 2008-03-26 EP disclosed
EP-1569895-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-07-11 EP disclosed
EP-1677812-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2006-07-12 EP disclosed
EP-1670451-A1 TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2006-06-21 EP disclosed
EP-1608357-A2 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2005-12-28 EP disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP disclosed
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
WO-2004052360-A1 PRODRUGS OF FUSED GABA ANALOGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
EP-1404310-A1 ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY Xenoport, Inc. (US) 2004-04-07 EP disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed
WO-2002100392-A1 ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY XENOPORT, INC. (US) 2002-12-19 WO disclosed
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed