SCHEMBL23926526

SCHEMBL23926526

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 2/20 0.38
TGM2 P21980 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SLC15A1 P46059 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CA12 O43570 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 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
SCHEMBL23926528 0.86 ALDH1A1 (0.44) ALDH1A1HCAR2LMNAKMT2AMEN1
SCHEMBL23926519 0.82 ALDH1A1 (0.49) ALDH1A1HCAR2LMNATGM2KMT2A
SCHEMBL15841013 0.82 ALDH1A1 (0.49) ALDH1A1HCAR2LMNATGM2KMT2A
SCHEMBL873996 0.81 ALDH1A1 (0.63) ALDH1A1HCAR2LMNAKMT2AMEN1
SCHEMBL873995 0.81 ALDH1A1 (0.63) ALDH1A1HCAR2LMNAKMT2AMEN1
SCHEMBL4317881 0.81 ALDH1A1 (0.63) ALDH1A1HCAR2LMNAKMT2AMEN1
Ammonia Solution, Strong SCHEMBL27722063 0.80 ALDH1A1 (0.61) ALDH1A1HCAR2LMNAKMT2AMEN1
SCHEMBL28083788 0.77 ALDH1A1 (0.58) ALDH1A1HCAR2LMNAKMT2AMEN1
SCHEMBL28205295 0.77 ALDH1A1 (0.50) ALDH1A1HCAR2LMNATGM2KMT2A
SCHEMBL27957541 0.76 ALDH1A1 (0.49) ALDH1A1HCAR2LMNATGM2KMT2A

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