SCHEMBL19335366

SCHEMBL19335366

CC(C)(C)C(=O)OC12CC3CC(C1)CC(OC(=O)C(F)(F)F)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
SCN9A Q15858 1/20 0.34
TSHR P16473 1/20 0.30
DPP4 P27487 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18457340 0.85 CYP17A1 (0.38) CYP17A1CYP19A1CLK1CLK2DYRK1A
SCHEMBL2607818 0.85 CYP17A1 (0.34) CYP17A1CYP19A1DPP8DPP9SCN9A
SCHEMBL19718964 0.84
SCHEMBL20697766 0.84 TSHR (0.40) CYP17A1CYP19A1SCN9ATSHRNPSR1
SCHEMBL10173655 0.82 CYP17A1 (0.38) CYP17A1CYP19A1CLK1CLK2DYRK1A
SCHEMBL11358004 0.82 SCN9A (0.34) CYP17A1CYP19A1DPP8DPP9SCN9A
SCHEMBL47315 0.82 CYP17A1 (0.32) CYP17A1CYP19A1SCN9A
SCHEMBL22266838 0.82 CYP17A1 (0.35) CYP17A1CYP19A1DPP8DPP9SCN9A
SCHEMBL9764361 0.81 CYP19A1 (0.43) CYP17A1CYP19A1TSHRNPSR1
SCHEMBL13232360 0.81 CYP19A1 (0.50) CYP17A1CYP19A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9760010-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-12 US disclosed