SCHEMBL5603510

SCHEMBL5603510

C=CC(O[C]=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ APP P05067 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ PTGS1 P23219 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
SCHEMBL8408254 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5495387 0.77 KMT2A (0.45) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL5495389 0.76 TDP1 (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL1754891 0.75 CYP2C19 (0.35) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL2027813 0.75 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5827346 0.72 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6704873 0.71 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL28285992 0.70 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9300709 0.70 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6691324 0.70 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946478-B1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2007-02-14 — — EP disclosed
EP-1674484-A2 Process for the solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid componds Aventis Pharmaceuticals Products Inc. (US) 2006-06-28 — — EP disclosed
EP-0946478-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARM PROD INC (US) 2004-09-08 — — EP disclosed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 — — EP disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 — — WO disclosed
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