SCHEMBL16429522

SCHEMBL16429522

CC(C)(C)OC(=O)c1ccc(Br)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.34
USP30 Q70CQ3 3/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA6 Q16445 1/20 0.32
KRAS P01116 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5841748 0.85 AAK1 (0.37) AAK1USP30PRMT5WDR77CYP2C9
SCHEMBL16426147 0.85 PRMT5 (0.43) AAK1USP30PRMT5WDR77BACE1
SCHEMBL31689032 0.81 LIPE (0.37) AAK1USP30PRMT5WDR77DGAT1
SCHEMBL6240652 0.81 LIPE (0.37) AAK1USP30PRMT5WDR77DGAT1
SCHEMBL16426109 0.79 PRMT5 (0.43) AAK1USP30PRMT5WDR77BACE1
SCHEMBL18532698 0.78 AAK1 (0.37) AAK1USP30PRMT5WDR77BACE1
SCHEMBL16429289 0.78 CYP19A1 (0.34) CYP3A4CYP2C9CYP2C19
SCHEMBL2846997 0.76 USP30 (0.38) AAK1USP30PRMT5WDR77CYP2C9
SCHEMBL24770148 0.75 USP30 (0.41) AAK1USP30PRMT5WDR77CYP2C9
SCHEMBL31032180 0.75 USP30 (0.41) AAK1USP30PRMT5WDR77CYP2C9

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
US-8962779-B2 Method of forming polyaryl polymers DOW GLOBAL TECHNOLOGIES LLC (US) 2015-02-24 US disclosed
US-20150031847-A1 METHOD OF FORMING POLYARYL POLYMERS DOW GLOBAL TECHNOLOGIES LLC 2015-01-29 US disclosed