SCHEMBL30929528

SCHEMBL30929528

Cc1ccc(OC2(C)CCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL17848607 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL31615904 0.79 TTR (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL31615799 0.77 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL17848342 0.75 ALDH1A1 (0.57) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL17848728 0.73 NR1H2 (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4434853 0.72 MAPT (0.60) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL22370558 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL22439450 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL25802786 0.72 MGLL (0.42) ALDH1A1LMNAMAPT
SCHEMBL17848761 0.71 DRD2 (0.48) ALDH1A1LMNAMAPTMEN1KMT2A

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
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