SCHEMBL17459902

SCHEMBL17459902

O=C(OCCCF)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
LMNA P02545 3/20 0.61
MAPK1 P28482 2/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ESR1 P03372 2/20 0.49
TSHR P16473 2/20 0.49
ESR2 Q92731 1/20 0.49
F2 P00734 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47

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
SCHEMBL23970635 0.94 TDP1 (0.81) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL10458171 0.88 TDP1 (0.70) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL416566 0.88 TDP1 (0.91) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL223441 0.88 TDP1 (1.00) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL11896606 0.86 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL225815 0.86 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL223238 0.86 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL17466182 0.86 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2069111 0.86 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL11896235 0.86 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172211-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-05-31 EP disclosed
WO-2016011930-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-28 WO disclosed