SCHEMBL28684459

SCHEMBL28684459

O=C(OCc1ccccc1)C1=CC=CC=CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
KMT2A Q03164 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42

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
SCHEMBL1991302 0.77 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL16844598 0.75 ALDH1A1 (0.43) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL29959394 0.75 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6139432 0.75 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL11494592 0.73 ALDH1A1 (0.44) TDP1KMT2ASLC6A2ALDH1A1L3MBTL1
SCHEMBL29388715 0.73 ALDH1A1 (0.89) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL50441 0.73 ALDH1A1 (0.89) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6402746 0.72 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24117922 0.72 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL2588443 0.71 ALDH1A1 (0.72) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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
CN-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed