SCHEMBL30014136

SCHEMBL30014136

COc1cc(COc2cccc3c2C(=O)c2c(O)cccc2C3)c([N+](=O)[O-])cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPN P05981 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ LMNA P02545 2/20 0.41

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
SCHEMBL26963412 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL26963414 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL12775753 0.76 ALDH1A1 (0.71) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL5839209 0.71 ALDH1A1 (0.54) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL12774925 0.68 MAPT (0.65) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL1647356 0.68 MAPT (0.52) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL4638588 0.67 NPC1 (0.47) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL31344259 0.67 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL10883924 0.67 NPC1 (0.53) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL12978933 0.67 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2ACYP3A4

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-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
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