SCHEMBL25119644

SCHEMBL25119644

O=C(OCc1ccccc1)c1ccc(OCCOCCOCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.57
GAA P10253 2/20 0.52
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PKM P14618 1/20 0.49
PARP10 Q53GL7 2/20 0.48
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SRD5A2 P31213 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 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
SCHEMBL25119553 1.00 KMT2A (0.58) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL8673498 0.94 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL6286657 0.92 KMT2A (0.65) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL51012 0.90 KMT2A (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL4815672 0.89 KMT2A (0.61) KMT2ASLC6A2SLC6A3TDP1LMNA
Benzyl Benzoate SCHEMBL11143654 0.89 TDP1 (0.74) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL28779286 0.84 KMT2A (0.71) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL25119527 0.84 THRB (0.63) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL25119533 0.84 THRB (0.63) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL12094079 0.84 SLC6A2 (0.51) KMT2ASLC6A2SLC6A3TDP1LMNA

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-2023058418-A1 COMPOSITION, AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-04-13 WO disclosed