SCHEMBL3392191

SCHEMBL3392191

CCOc1n[nH]c(C)c1Oc1cc(C)cc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
MAPT P10636 7/20 0.45
ALOX12 P18054 6/20 0.45
NPSR1 Q6W5P4 5/20 0.45
TP53 P04637 3/20 0.45
USP2 O75604 2/20 0.45
XBP1 P17861 2/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
LRRK2 Q5S007 1/20 0.41
KCNH2 Q12809 1/20 0.39
POLB P06746 3/20 0.38
CYP2C9 P11712 2/20 0.38
ALPL P05186 2/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
XIAP P98170 1/20 0.37
LMNA P02545 5/20 0.37

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
SCHEMBL17156341 0.85 MAPT (0.43) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL3260000 0.81 KMT2A (0.48) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17156158 0.76 MAPT (0.46) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17156146 0.74 L3MBTL1 (0.47) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL13497077 0.74 KCNH2 (0.41) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17156249 0.72 LPAR2 (0.41) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17156325 0.71 TTR (0.48) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17156161 0.71 DHODH (0.50) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17156291 0.71 MAPT (0.44) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17156183 0.69 CCR4 (0.41) MEN1KMT2AMAPTALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed