SCHEMBL31286751

SCHEMBL31286751

O=C(Oc1ccc([N+](=O)[O-])cc1)OC12CCC(CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ HTR2A P28223 1/20 0.45
▸ BCL9 O00512 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MGLL Q99685 1/20 0.40

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
SCHEMBL24727719 0.83 ALDH1A1 (0.48) GAAHTR2ABCL9CTNNB1CYP1A2
SCHEMBL287764 0.81 GAA (0.54) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL11446812 0.80 CES2 (0.45) GAABCL9CTNNB1CYP1A2CYP2D6
SCHEMBL288509 0.78 GAA (0.51) GAAHTR2ABCL9CTNNB1CYP1A2
SCHEMBL3373334 0.78 GAA (0.51) GAAHTR2ABCL9CTNNB1CYP1A2
SCHEMBL26374 0.78 GAA (0.65) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL14974562 0.77 GAA (0.50) GAAHTR2ABCL9CTNNB1CYP1A2
SCHEMBL288139 0.76 BCL9 (0.54) GAAHTR2ABCL9CTNNB1KMT2A
Hydrochloric Acid SCHEMBL7895043 0.76 GAA (0.62) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL20625250 0.76 GAA (0.51) GAAHTR2ABCL9CTNNB1CYP1A2

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-4747248-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2026-05-27 — — EP disclosed
WO-2025022093-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2025-01-30 — — WO disclosed
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