SCHEMBL30929531

SCHEMBL30929531

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
BRAF P15056 1/20 0.48
KDR P35968 1/20 0.48
MAPK14 Q16539 1/20 0.48
TNNI3K Q59H18 1/20 0.48
MDH1 P40925 1/20 0.48
MDH2 P40926 1/20 0.48
CYP17A1 P05093 2/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL1138925 0.92 EPHX2 (0.59) EPHX2TRPV1MAPTCYP17A1LMNA
SCHEMBL29131710 0.89 HPGD (0.59) MAPTHPGDSMN1; SMN2CYP17A1PDK1
SCHEMBL20469627 0.88 MEN1 (0.53) TRPV1MAPTHPGDSMN1; SMN2MAPK14
SCHEMBL20865537 0.88 HPGD (0.51) HPGDSMN1; SMN2MAPK14CYP17A1PDK1
SCHEMBL20865538 0.84 CYP17A1 (0.59) HPGDSMN1; SMN2CYP17A1PDK1PDK2
SCHEMBL23637726 0.84 CYP17A1 (0.63) HPGDSMN1; SMN2BRAFKDRMAPK14
SCHEMBL29131712 0.83 HPGD (0.71) MAPTHPGDSMN1; SMN2MAPK14PDK1
SCHEMBL23966382 0.83 HPGD (0.53) HPGDSMN1; SMN2MAPK14CYP17A1LMNA
SCHEMBL31483499 0.82 ALDH1A1 (0.52) HPGDSMN1; SMN2CYP17A1
SCHEMBL1853151 0.82 CYP17A1 (0.54) EPHX2TRPV1MAPTSMN1; SMN2CYP17A1

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-4626865-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS Protego Biopharma, Inc. (US) 2025-10-08 EP disclosed
WO-2024118810-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2024-06-06 WO disclosed