SCHEMBL14558120

SCHEMBL14558120

CCOC(=O)C(=O)C1CCc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GLO1 Q04760 1/20 0.39
▸ CACNA1C Q13936 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38

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
SCHEMBL31650430 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL5339440 0.82 GAA (0.42) ALDH1A1DRD2HTR2AMAPTGAA
SCHEMBL5027897 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL30759564 0.81 MAPT (0.45) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL27120697 0.81 MAPT (0.45) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL31650408 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL14558824 0.81 KMT2A (0.43) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL31650300 0.81 CYP19A1 (0.48) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL31650126 0.78 ACHE (0.51) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL1160244 0.78 ACHE (0.51) ALDH1A1KMT2AMAPTKDM4EGAA

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
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 — — US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 — — US disclosed
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