SCHEMBL7751093

SCHEMBL7751093

CC1(C)CC(=O)CC(c2ccco2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.58
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.44
RECQL P46063 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ADORA2B P29275 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1177395 0.74 POLB (1.00) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL8677375 0.73 MAPT (0.53) MAPTALDH1A1HPGDGAA
SCHEMBL3438085 0.69 MAPT (0.64) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL28061139 0.68 POLB (0.44) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL3438539 0.67 MAPT (0.61) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL11466368 0.67 MTNR1A (0.49) POLBMAPTKMT2ANPSR1L3MBTL1
SCHEMBL5291964 0.66 ALDH1A1 (0.46) MAPTKMT2ANPC1ALDH1A1KDM4E
SCHEMBL21402172 0.65
SCHEMBL1177894 0.65 POLB (0.62) POLBMAPTTDP1KMT2ANPSR1
SCHEMBL7970858 0.65 ADORA2B (0.42) POLBMAPTTDP1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297401-B1 A 3-NITROSALICYLAMIDE DERIVATIVE EFFECTIVE AGAINST PLANT PYTOPATHOGENS DOW AGROSCIENCES LLC 2001-10-02 US disclosed
EP-1035772-A4 FUNGICIDAL COMPOSITIONS AND METHODS, AND COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF DOW AGROSCIENCES LLC (US) 2001-03-28 EP disclosed
EP-1035772-A1 FUNGICIDAL COMPOSITIONS AND METHODS, AND COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF Dow AgroSciences LLC (US) 2000-09-20 EP disclosed
WO-1999027783-A1 FUNGICIDAL COMPOSITIONS AND METHODS, AND COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF DOW AGROSCIENCES LLC (US) 1999-06-10 WO disclosed