SCHEMBL8644756

SCHEMBL8644756

C=C(C)C(=O)OCCOC(=O)C(=O)OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
FFAR1 O14842 2/20 0.54
FFAR4 Q5NUL3 1/20 0.54
ALOX5 P09917 2/20 0.52
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
LTA4H P09960 2/20 0.48
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL18106792 0.89 POLB (0.53) MAOBFFAR1FFAR4HTTPOLB
SCHEMBL8644751 0.87 MAOB (0.50) MAOBFFAR1FFAR4ALOX5PTGS1
SCHEMBL29332969 0.86 HTT (0.54) MAOBFFAR1FFAR4ALOX5PTGS1
SCHEMBL8333346 0.85 NR4A1 (0.66) MAOBFFAR1FFAR4ALOX5PTGS1
SCHEMBL28249201 0.84 ALDH1A1 (0.58) FFAR1FFAR4TDP1ALDH1A1L3MBTL1
SCHEMBL13234390 0.84 ALDH1A1 (0.66) MAOBHTTTDP1ALDH1A1L3MBTL1
SCHEMBL13234388 0.84 ALDH1A1 (0.66) MAOBHTTTDP1ALDH1A1L3MBTL1
SCHEMBL13234389 0.84 ALDH1A1 (0.66) MAOBHTTTDP1ALDH1A1L3MBTL1
SCHEMBL13234425 0.84 ALDH1A1 (0.66) MAOBHTTTDP1ALDH1A1L3MBTL1
SCHEMBL13234392 0.84 ALDH1A1 (0.66) MAOBHTTTDP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665960-B1 IMAGING MEDIUM AND PROCESS POLAROID CORP (US) 1998-08-19 EP disclosed
US-5578424-A EXPOSING A MIXTURE OF AN ACID PRECURSOR AND A DYE TO ACTINIC RADIATION TO DECOMPOSE PRECURSOR POLAROID CORPORATION (US) 1996-11-26 US disclosed
EP-0665961-B1 IMAGING MEDIUM AND PROCESS POLAROID CORP (US) 1996-10-02 EP disclosed
US-5534388-A SUPERACID PRECURSOR IS EXPOSED TO ACTINIC RADIATION TO GENERATE SUPERACID; COLORIMETRIC ANALYSIS POLAROID CORPORATION (US) 1996-07-09 US disclosed
US-5453345-A Imaging medium POLAROID CORPORATION (US) 1995-09-26 US disclosed
US-5445917-A Superacid precursor to catalyze thermal decomposition of secondary acid generator, such as squaric acid and oxalic acid derivatives; effecting color change in imaging process POLAROID CORPORATION (US) 1995-08-29 US disclosed
EP-0665961-A1 IMAGING MEDIUM AND PROCESS. POLAROID CORP (US) 1995-08-09 EP disclosed
US-5395736-A Exposing superoxide precursor to actinic radiation, generating superacid, mixing with oxalic acid diester, heating POLAROID CORPORATION (US) 1995-03-07 US disclosed
WO-1994010607-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1994-05-11 WO disclosed