SCHEMBL578340

SCHEMBL578340

CC(C)(C)N1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
ALDH1A1 P00352 3/20 0.34
MITF O75030 1/20 0.33
PTGS2 P35354 1/20 0.33
APP P05067 2/20 0.32
MAOB P27338 2/20 0.32
ACHE P22303 2/20 0.32
AKR1C3 P42330 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL586289 0.85 MAPT (0.50) MAPTALDH1A1MAOBACHEHDAC3
SCHEMBL586288 0.85 MAPT (0.50) MAPTALDH1A1MAOBACHEHDAC3
SCHEMBL585752 0.82 GAA (0.47) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL586024 0.82 MAPT (0.47) MAPTALDH1A1MITFPTGS2APP
SCHEMBL586023 0.82 MAPT (0.47) MAPTALDH1A1MITFPTGS2APP
SCHEMBL585751 0.82 GAA (0.47) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL586243 0.81 ADRB1 (0.45) MAPTALDH1A1PTGS2APPMAOB
SCHEMBL586242 0.81 ADRB1 (0.45) MAPTALDH1A1PTGS2APPMAOB
SCHEMBL578412 0.80 MAPT (0.35) MAPTALDH1A1MITFPTGS2APP
SCHEMBL586263 0.79 MAPT (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed