SCHEMBL16426164

SCHEMBL16426164

CC1(OC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.42
CYP19A1 P11511 2/20 0.42
P4HB P07237 1/20 0.40
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
LIPG Q9Y5X9 6/20 0.38
LPL P06858 5/20 0.38
HIF1A Q16665 1/20 0.37
F11 P03951 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL16426167 0.81 HIF1A (0.48) CYP17A1CYP19A1CA1CA2CA9
SCHEMBL16518847 0.77 CYP17A1 (0.44) CYP17A1CYP19A1HIF1A
SCHEMBL6068257 0.77 CYP17A1 (0.49) CYP17A1CYP19A1F2
SCHEMBL18124825 0.76 CA1 (0.53) P4HBCA1CA2CA9LIPG
SCHEMBL105161 0.75 CA1 (0.50) P4HBCA1CA2CA9LIPG
SCHEMBL14839366 0.75 POLB (0.43) CYP17A1CYP19A1PRSS1
SCHEMBL16518961 0.75 CYP17A1 (0.42) CYP17A1CYP19A1CA1CA2LIPG
SCHEMBL16346925 0.74 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL16426162 0.74 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL10087719 0.74 CYP17A1 (0.41) CYP17A1CYP19A1CA1CA2CA9

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
US-8962779-B2 Method of forming polyaryl polymers DOW GLOBAL TECHNOLOGIES LLC (US) 2015-02-24 US disclosed
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