SCHEMBL31459552

SCHEMBL31459552

CCOC(=O)c1cc(C(F)F)n(CCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ABCB1 P08183 1/20 0.40
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
BRD4 O60885 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
FAAH O00519 1/20 0.35
STING1 Q86WV6 1/20 0.35

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
SCHEMBL9926426 0.84 ADORA3 (0.42) ALDH1A1ABCB1KDM4EMAPTNPSR1
SCHEMBL31459112 0.81 GAA (0.44) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL31459316 0.78 GAA (0.42) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL27341129 0.77 ADORA3 (0.37) ALDH1A1KDM4EMAPTNPSR1ADORA3
SCHEMBL31459366 0.76 ALDH1A1 (0.41) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL16270149 0.76 ADORA3 (0.40) GAAALDH1A1KDM4EMAPTNPSR1
Trifluoroacetic Acid SCHEMBL31459441 0.76 GAA (0.39) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL31459254 0.75 GAA (0.48) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL27341116 0.75 HPGD (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL31459088 0.75 NR1H2 (0.41) GAAALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096660-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096654-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096657-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed