SCHEMBL29924988

SCHEMBL29924988

O=C(NCc1ccccc1)OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
BCHE P06276 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
RIPK1 Q13546 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPID Q08752 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3838871 0.82 CA12 (0.63) ALDH1A1HDAC1KMT2ARIPK1MEN1
SCHEMBL15552483 0.81 EPHX1 (0.49) ALDH1A1TSHRGAABCHEKMT2A
SCHEMBL29244564 0.79 GAA (0.53) ALDH1A1TSHRGAABCHEKMT2A
Acetic Acid SCHEMBL7982271 0.79 CA12 (0.60) GAAHDAC1KMT2ARIPK1MEN1
SCHEMBL1730157 0.79 ALDH1A1 (0.52) ALDH1A1MAPTTSHRGAAPPID
SCHEMBL29761650 0.78 RIPK1 (0.51) ALDH1A1MAPTHPGDRIPK1PPID
SCHEMBL8621389 0.77 GAA (0.55) ALDH1A1TSHRGAABCHEKMT2A
SCHEMBL1720194 0.77 ALDH1A1 (0.67) ALDH1A1MAPTTSHRGAABCHE
Propionic Acid SCHEMBL8139542 0.77 CA12 (0.61) HDAC1KMT2ARIPK1MEN1PPID
Acetic Acid Methyl Ester SCHEMBL8138995 0.77 CA12 (0.57) ALDH1A1BCHEHDAC1KMT2ARIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4274569-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2023-11-15 EP disclosed
WO-2022150316-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-07-14 WO disclosed