SCHEMBL7281955

SCHEMBL7281955

COCCCC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.57
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL30648612 0.84 GLO1 (0.58) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL7483326 0.84 GLO1 (0.64) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL7279772 0.84 GLO1 (0.64) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL18832135 0.81 GLO1 (0.54) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL7272467 0.81 GLO1 (0.68) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL10690139 0.81 GLO1 (0.68) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL10690145 0.81 GLO1 (0.68) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL6177870 0.81 GLO1 (0.74) GLO1KMT2AMEN1LMNAFBP1
SCHEMBL28015568 0.79 GLO1 (0.57) GLO1KMT2AALDH1A1MEN1LMNA
SCHEMBL9727518 0.79 GLO1 (0.64) GLO1KMT2AALDH1A1MEN1LMNA

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
CN-1042727-C Preparing for 2-acetoacetic ester XINHUA PHARMACEUTIC FACTORY SH (CN) 1999-03-31 — — CN disclosed
CN-1080631-A 2-(oil of mirbane methylene radical) acetylacetic ester method for making SHANDONG XINHUA PHARMACEUTIC F (CN) 1994-01-12 — — CN disclosed
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 — — EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 — — US disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 — — EP disclosed
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