SCHEMBL8668089

SCHEMBL8668089

O=C(OCCCCOCc1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.73
KMT2A Q03164 2/20 0.66
SLC6A2 P23975 1/20 0.66
SLC6A3 Q01959 1/20 0.66
BCHE P06276 3/20 0.59
LMNA P02545 3/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL23945258 0.90 TDP1 (0.70) TDP1KMT2ASLC6A2SLC6A3BCHE
SCHEMBL1446744 0.88 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3BCHE
SCHEMBL1674740 0.88 TDP1 (0.88) TDP1KMT2ASLC6A2SLC6A3BCHE
SCHEMBL20083912 0.86 NPC1 (0.67) TDP1KMT2ASLC6A2SLC6A3BCHE
SCHEMBL11985698 0.86 TDP1 (0.76) TDP1KMT2ASLC6A2SLC6A3BCHE
SCHEMBL223441 0.86 TDP1 (1.00) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL26190081 0.85 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3BCHE
SCHEMBL22832400 0.84 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL115000 0.84 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL11985735 0.84 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5833880-A MIXTURE POLYMERIZABLE BY FREE RADICAL OR IONIC POLYMERIZATION BASF AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed