SCHEMBL287282

SCHEMBL287282

O=C(OCCOC(=O)c1ccccc1)C1=CN=CC(CC(=O)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL287585 0.74 NPSR1 (0.46) TDP1NPC1RAB9AALDH1A1MAPT
SCHEMBL287683 0.73 NPC1 (0.39) TDP1LMNANPC1RAB9AALDH1A1
SCHEMBL287467 0.71 POLB (0.36) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL137486 0.70 TDP1 (0.83) TDP1LMNANPC1RAB9AL3MBTL1
Cyclopropane SCHEMBL5387563 0.68 TDP1 (0.73) TDP1LMNANPC1RAB9AL3MBTL1
SCHEMBL28286830 0.68 TDP1 (0.79) TDP1LMNANPC1RAB9AL3MBTL1
SCHEMBL16217656 0.68 TDP1 (0.79) TDP1LMNANPC1RAB9AL3MBTL1
SCHEMBL547137 0.68 TDP1 (0.79) TDP1LMNANPC1RAB9AL3MBTL1
SCHEMBL13292516 0.68 TDP1 (0.79) TDP1LMNANPC1RAB9AL3MBTL1
Ethylene SCHEMBL8622525 0.67 TDP1 (0.76) TDP1LMNANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO disclosed