SCHEMBL31627733

SCHEMBL31627733

CC(C)C(=O)OC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ ELANE P08246 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MGLL Q99685 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL4683792 0.89 GAA (0.60) GAABCL9CTNNB1HTR2AELANE
SCHEMBL4876569 0.88 GAA (0.53) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL4876562 0.88 GAA (0.53) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL16261887 0.84 HTR2A (0.59) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL515913 0.83 GAA (0.57) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL9435291 0.83 GAA (0.57) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL2235530 0.82 HTR2A (0.54) GAABCL9CTNNB1HTR2AELANE
Water SCHEMBL4754930 0.81 GAA (0.55) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL4752026 0.81 GAA (0.58) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL14307582 0.81 GAA (0.58) GAABCL9CTNNB1HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025129116-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2025-06-19 — — WO disclosed
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