SCHEMBL10248367

SCHEMBL10248367

CC(F)(F)C(=O)NCC1CCC2CCCCC2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
OPRK1 P41145 3/20 0.35
CYP2D6 P10635 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
ALOX5 P09917 1/20 0.34
MLYCD O95822 1/20 0.34
TLR4 O00206 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16301152 0.81 HDAC6 (0.32) EPHX1HDAC6ALOX5MLYCDL3MBTL1
SCHEMBL10248340 0.80 EPHX1 (0.56) EPHX1OPRK1CYP2D6HDAC6MLYCD
SCHEMBL10251929 0.72 MEN1 (0.41)
SCHEMBL13853093 0.70 CHRM3 (0.41) EPHX1
SCHEMBL18624748 0.69 EPHX1 (0.53) EPHX1OPRK1CYP2D6HDAC6MLYCD
SCHEMBL12057456 0.68 TDP1 (0.54) EPHX1OPRK1CYP2D6TDP1OPRD1
SCHEMBL25587754 0.68 OPRK1 (0.41) EPHX1OPRK1CYP2D6HDAC6MLYCD
SCHEMBL19652077 0.68 EPHX1 (0.57) EPHX1OPRK1CYP2D6HDAC6MLYCD
SCHEMBL1709299 0.68 EPHX1 (0.57) EPHX1OPRK1CYP2D6HDAC6MLYCD
SCHEMBL3381027 0.68 HDAC6 (0.53) EPHX1OPRK1CYP2D6HDAC6MLYCD

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-20120076996-A1 RESIST COMPOSITION, RESIST FILM THEREFROM AND METHOD OF FORMING PATTERN THEREWITH FUJIFILM CORPORATION (JP) 2012-03-29 US disclosed