SCHEMBL4367753

SCHEMBL4367753

CC(CCCC(=O)O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
FFAR1 O14842 2/20 0.48
GPR88 Q9GZN0 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL11502513 0.89 MTNR1A (0.56) MTNR1AMTNR1BFFAR1GPR88HPGD
SCHEMBL7170118 0.87 PDE4B (0.55) MTNR1AMTNR1BFFAR1HPGDALDH1A1
SCHEMBL7180041 0.86 MTNR1A (0.56) MTNR1AMTNR1BFFAR1MAPK1ALDH1A1
SCHEMBL7171301 0.85 ALDH1A1 (0.45) FFAR1GPR88SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL7175175 0.85 PPARG (0.48) FFAR1ALDH1A1GAA
SCHEMBL7174245 0.85 PPARG (0.48) MTNR1AMTNR1BFFAR1HPGDCYSLTR2
SCHEMBL7179626 0.85 OGG1 (0.49) FFAR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5046122 0.82 FFAR4 (0.44) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29161839 0.82 HDAC3 (0.50) MTNR1AMTNR1BFFAR1HDAC3HDAC4
SCHEMBL7182150 0.81 KMT2A (0.55) MTNR1AMTNR1BSLC6A3SMN1; SMN2CYP1A2

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
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
WO-2004020408-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 WO disclosed
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed