SCHEMBL29327822

SCHEMBL29327822

CC(F)(CN)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PTPN1 P18031 3/20 0.47
PTPRC P08575 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 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
SCHEMBL25298385 0.85 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL26503887 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL4178872 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL12128693 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL19105239 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL21673204 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL27615708 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL21673464 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL19500998 0.80 KMT2A (0.55) ALDH1A1KMT2AMEN1PTPN1PTPRC
SCHEMBL17943287 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1PTPN1PTPRC

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-2024150676-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION 富士フイルム株式会社 2024-07-18 WO disclosed