SCHEMBL4650456

SCHEMBL4650456

O=C(O)CCC(=O)OCCCCCCCCCCCCCCCC(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
NAAA Q02083 1/20 0.37
DGKA P23743 1/20 0.37
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28690548 0.92 NPC1 (0.39) HTR2CNPC1ALDH1A1FFAR4DGKA
SCHEMBL6334796 0.86 HTR2C (0.50) HTR2CNPC1ALDH1A1NAAADGKA
SCHEMBL27488436 0.86 HTR2C (0.50) HTR2CNPC1ALDH1A1NAAADGKA
SCHEMBL28687972 0.84 LMNA (0.40) NPC1ALDH1A1DGKALMNAADRA2A
SCHEMBL28690546 0.84 ADRA2A (0.43) HTR2CALDH1A1NAAADGKAADRA2A
SCHEMBL108335 0.84 NPC1 (0.49) HTR2CNPC1ALDH1A1NAAADGKA
SCHEMBL848602 0.84 KDM4C (0.46) HTR2CNPC1ALDH1A1FFAR4NAAA
SCHEMBL2853053 0.84 KDM4C (0.46) HTR2CNPC1ALDH1A1FFAR4NAAA
SCHEMBL30115059 0.84 KDM4C (0.46) HTR2CNPC1ALDH1A1FFAR4NAAA
SCHEMBL237975 0.84 KDM4C (0.46) HTR2CNPC1ALDH1A1FFAR4NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908785-B1 Etch inhibitors in developer for lithographic printing plates AGFA CORP (US) 2008-09-03 EP disclosed
US-5998102-A Etch inhibitors in developer for lithographic printing plates AGFA CORPORATION (US) 1999-12-07 US disclosed
EP-0908785-A2 Etch inhibitors in developer for lithographic printing plates Bayer Corporation (US) 1999-04-14 EP disclosed