SCHEMBL23945258

SCHEMBL23945258

O=C(OCCOCc1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
KMT2A Q03164 3/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A3 Q01959 1/20 0.70
ESR1 P03372 1/20 0.63
ESR2 Q92731 1/20 0.63
LMNA P02545 3/20 0.59
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 1/20 0.48
BCHE P06276 1/20 0.48
GAA P10253 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
SCHEMBL1446744 0.98 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL27926522 0.92 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL17955287 0.91 L3MBTL1 (0.58) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL16594029 0.90 L3MBTL1 (0.56) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL8668089 0.90 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL16320579 0.88 ESR1 (0.70) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL15512622 0.87 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL15512201 0.87 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL15512282 0.87 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3ESR1
SCHEMBL205788 0.87 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3ESR1

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
WO-2021211423-A1 METHODS FOR DEPOLYMERIZING POLYESTERS NORTHWESTERN UNIVERSITY (US) 2021-10-21 WO disclosed