SCHEMBL31459342

SCHEMBL31459342

CCOC(=O)c1cc(C(F)F)nn1CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL1279630 0.85 SMN1; SMN2 (0.42) ALDH1A1GAAPOLBSMN1; SMN2CYP2C19
SCHEMBL3995751 0.84 SMN1; SMN2 (0.40) ALDH1A1GAAPOLBSMN1; SMN2CYP2C19
SCHEMBL23612824 0.81 SMN1; SMN2 (0.39) ALDH1A1POLBSMN1; SMN2CYP2C19CYP2C9
SCHEMBL14097076 0.81 POLB (0.38) ALDH1A1GAAHPGDPOLBSMN1; SMN2
SCHEMBL31459112 0.80 GAA (0.44) ALDH1A1GAAHPGDCYP2C19CYP2C9
SCHEMBL27258465 0.79 ALDH1A1 (0.44) ALDH1A1GAAHPGDPOLBSMN1; SMN2
SCHEMBL14487412 0.79 ALDH1A1 (0.46) ALDH1A1GAAHPGDCYP2C19HDAC6
SCHEMBL20488115 0.77 SMN1; SMN2 (0.47) ALDH1A1GAAPOLBSMN1; SMN2CYP2C19
SCHEMBL3999420 0.77 KMT2A (0.38) GAAPOLBSMN1; SMN2CYP2C19CYP2C9
SCHEMBL19994230 0.76 SMN1; SMN2 (0.48) ALDH1A1GAAHPGDPOLBSMN1; SMN2

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