SCHEMBL27523213

SCHEMBL27523213

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.52
▸ ADRB1 P08588 2/20 0.52
▸ ADRB3 P13945 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ CES1 P23141 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL17617236 0.83 ADRB2 (0.51) ADRB2ADRB1ADRB3POLBMAPK1
SCHEMBL27693947 0.83 MAPK1 (0.53) ADRB2ADRB1ADRB3POLBMAPK1
SCHEMBL28320453 0.82 ALDH1A1 (0.55) ADRB2ADRB1ADRB3POLBKMT2A
SCHEMBL20549015 0.82 KMT2A (0.55) ADRB2ADRB1ADRB3POLBMAPK1
SCHEMBL17617143 0.82 ADRB2 (0.53) ADRB2ADRB1ADRB3POLBMAPK1
SCHEMBL17617123 0.82 ADRB2 (0.53) ADRB2ADRB1ADRB3POLBMAPK1
SCHEMBL17617130 0.82 ADRB2 (0.53) ADRB2ADRB1ADRB3POLBMAPK1
SCHEMBL254773 0.81 CES1 (0.65) POLBMAPK1KMT2AMEN1CES1
SCHEMBL16169034 0.81 MAPK1 (0.53) ADRB2ADRB1ADRB3POLBMAPK1
Methylamine SCHEMBL29169653 0.80 TSHR (0.60) POLBMAPK1KMT2AMEN1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1899750-B Solder metal, soldering flux and solder paste SHOWA DENKO KK 2010-06-16 — — CN disclosed
CN-1298492-C Solder metal, flux and solder paste SHOWA DENKO KK (JP) 2007-02-07 — — CN disclosed
CN-1899750-A Solder metal, soldering flux and solder paste SHOWA DENKO KK (JP) 2007-01-24 — — CN disclosed
CN-1211183-C Solder paste, soldering method using said solder paste and jointed product prepared by said soldering method SHOWA DENKO KK (JP) 2005-07-20 — — CN disclosed
CN-1578713-A Solder metal, flux and solder paste SHOWA DENKO KK (JP) 2005-02-09 — — CN disclosed
CN-1358123-A Solder paste, soldering method using said solder paste and jointed product prepared by said soldering method SHOWA DENKO KK (JP) 2002-07-10 — — CN disclosed
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