SCHEMBL26963414

SCHEMBL26963414

COc1cc(COc2cccc(O)c2C(C)=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAOB P27338 2/20 0.50
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA1D P25100 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
SCHEMBL5839209 0.78 ALDH1A1 (0.54) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL26963416 0.77 ALDH1A1 (0.53) ALDH1A1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL30014235 0.77 ALDH1A1 (0.53) ALDH1A1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL26963412 0.77 ALDH1A1 (0.44) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL30014136 0.77 ALDH1A1 (0.44) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10883924 0.74 NPC1 (0.53) ALDH1A1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL4075702 0.73 SMN1; SMN2 (0.54) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4638584 0.73 RAB9A (0.52) ALDH1A1LMNAMAOBRAB9ASMN1; SMN2
SCHEMBL29639742 0.72 THRB (0.65) ALDH1A1LMNAMAOBSMN1; SMN2MEN1
SCHEMBL980322 0.72 THRB (0.65) ALDH1A1LMNAMAOBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240159706-A1 MALDI-MS METHOD, PHOTO-SENSITIVE MALDI MATRIX COMPOSITE AND PHOTO-CAGED MALDI MATRIX COMPOUND FOR USE IN SAID METHOD AND RESPECTIVE USES SIRIUS FINE CHEMICALS SICHEM GMBH (DE) 2024-05-16 — — US disclosed
EP-4292121-A1 MALDI-MS METHOD, PHOTO-SENSITIVE MALDI MATRIX COMPOSITE AND PHOTO-CAGED MALDI MATRIX COMPOUND FOR USE IN SAID METHOD AND RESPECTIVE USES Sirius Fine Chemicals SiChem GmbH (DE) 2023-12-20 — — EP disclosed
WO-2022171808-A1 MALDI-MS METHOD, PHOTO-SENSITIVE MALDI MATRIX COMPOSITE AND PHOTO-CAGED MALDI MATRIX COMPOUND FOR USE IN SAID METHOD AND RESPECTIVE USES SIRIUS FINE CHEMICALS SICHEM GMBH (DE) 2022-08-18 — — WO disclosed
EP-4044211-A1 MALDI-MS METHOD, PHOTO-SENSITIVE MALDI MATRIX COMPOSITE AND PHOTO-CAGED MALDI MATRIX COMPOUND FOR USE IN SAID METHOD AND RESPECTIVE USES Sirius Fine Chemicals SiChem GmbH (DE) 2022-08-17 — — EP disclosed
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