SCHEMBL7751023

SCHEMBL7751023

CC1(C)CC(c2ccc3cccc(O)c3n2)CC(C)(C2CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
METAP1 P53582 7/20 0.36
PLAU P00749 1/20 0.36
NCF1 P14598 1/20 0.36
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 2/20 0.34
SOS2 Q07890 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7749787 0.81 METAP2 (0.39) METAP2METAP1PLAUNCF1PIM1
SCHEMBL7982121 0.80 METAP2 (0.49) METAP2METAP1PLAUNCF1PIM1
SCHEMBL6444605 0.71 METAP2 (0.47) METAP2METAP1PLAUNCF1PIM1
SCHEMBL14921560 0.71 METAP2 (0.47) METAP2METAP1PLAUNCF1PIM1
SCHEMBL14921519 0.69 METAP2 (0.45) METAP2METAP1PLAUNCF1PIM1
Hydrochloric Acid SCHEMBL5833545 0.68 METAP2 (0.44) METAP2METAP1PLAUNCF1PIM1
SCHEMBL10982506 0.65 METAP2 (0.47) METAP2METAP1PLAUNCF1PIM1
SCHEMBL15668088 0.63 GAA (0.48) METAP2METAP1PLAUNCF1PIM1
SCHEMBL17931882 0.62 PLAU (0.47) METAP2METAP1PLAUNCF1PIM1
SCHEMBL17931886 0.62 METAP2 (0.42) METAP2METAP1PLAUNCF1PIM1

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