SCHEMBL23926529

SCHEMBL23926529

C=C(C)C(=O)OCC(=O)O.CC=C(C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PAM P19021 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
SLC15A1 P46059 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4317881 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HCAR2TDP1
SCHEMBL873995 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HCAR2TDP1
SCHEMBL873996 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HCAR2TDP1
SCHEMBL28317995 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AHCAR2TDP1MAPK1
Ammonia Solution, Strong SCHEMBL27722063 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1HCAR2TDP1
SCHEMBL13234425 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AHCAR2TDP1MAPK1
SCHEMBL13234404 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AHCAR2TDP1MAPK1
SCHEMBL13234388 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AHCAR2TDP1MAPK1
SCHEMBL13234390 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AHCAR2TDP1MAPK1
SCHEMBL13234389 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AHCAR2TDP1MAPK1

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
EP-3898732-A1 ACRYLATE COPOLYMERS FOR GALENIC APPLICATIONS Johannes Gutenberg-Universität Mainz (DE) 2021-10-27 EP disclosed