SCHEMBL8333349

SCHEMBL8333349

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
FFAR1 O14842 2/20 0.61
FFAR4 Q5NUL3 1/20 0.61
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
MAOB P27338 2/20 0.58
PARP10 Q53GL7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
LTA4H P09960 2/20 0.57
PTPRC P08575 1/20 0.57
PTPN2 P17706 1/20 0.57

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
SCHEMBL8333346 0.93 NR4A1 (0.66) NR4A1NR4A2NR4A3FFAR1FFAR4
SCHEMBL931107 0.87 ALDH1A1 (0.63) LMNASLC6A2SLC6A3L3MBTL1
Hydrazine SCHEMBL6220248 0.83 ALDH1A1 (0.59) LMNASLC6A2SLC6A3L3MBTL1
SCHEMBL8644808 0.83 PTPRC (0.50) NR4A2FFAR1FFAR4PARP10LTA4H
SCHEMBL7801266 0.83 NR4A1 (0.62) NR4A1NR4A2NR4A3FFAR1FFAR4
SCHEMBL6634107 0.83 PARP10 (0.68) NR4A1NR4A2NR4A3FFAR1FFAR4
SCHEMBL13034091 0.83 ALDH1A1 (0.76) NR4A1NR4A2NR4A3FFAR1FFAR4
Oxalic Acid SCHEMBL31187168 0.82 ALDH1A1 (0.58) LMNASLC6A2SLC6A3L3MBTL1HRH3
SCHEMBL2658123 0.81 ALDH1A1 (0.77) NR4A1NR4A2NR4A3FFAR1FFAR4
SCHEMBL20867886 0.81 ALDH1A1 (0.77) NR4A1NR4A2NR4A3FFAR1FFAR4

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-0951661-A4 1999-11-17 EP disclosed
EP-0951661-A1 PROCESS AND COMPOSITION FOR GENERATING ACID POLAROID CORPORATION (US) 1999-10-27 EP disclosed
WO-1998024000-A1 PROCESS AND COMPOSITION FOR GENERATING ACID POLAROID CORPORATION (US) 1998-06-04 WO disclosed