SCHEMBL6001883

SCHEMBL6001883

OCCOCCCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
IDO1 P14902 1/20 0.48
FFAR1 O14842 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
MAOA P21397 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL8553636 0.98 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL27873875 0.98 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9407052 0.98 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL10035946 0.96 MEN1 (0.54) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL10390505 0.94 IDO1 (0.55) TDP1MEN1KMT2ALMNAUSP2
SCHEMBL97038 0.92 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL2010505 0.92 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL13459003 0.92 IDO1 (0.53) TDP1MEN1KMT2ALMNAUSP2
SCHEMBL96692 0.90 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1
SCHEMBL97369 0.90 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed
EP-1216222-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019776-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
US-4937268-A TREATMENT OF ASTHMA, CHRONIC BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-06-26 US disclosed
EP-0286242-A2 Ethanolamine derivates, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-10-12 EP disclosed