SCHEMBL21495045

SCHEMBL21495045

OC[C@H](c1ccc(OC(F)(F)F)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
EPHX1 P07099 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 4/20 0.39
PTGS2 P35354 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
HTR2C P28335 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
SCHEMBL8041260 0.84 KDM4E (0.43) EPHX2EPHX1KDM4EALDH1A1POLB
SCHEMBL9539598 0.81 SLC6A4 (0.39) EPHX2ALDH1A1MEN1MITFKMT2A
SCHEMBL2652751 0.77 TRPV3 (0.46) MEN1KMT2AGABBR2GABBR1
SCHEMBL2652705 0.77 TRPV3 (0.46) MEN1KMT2AGABBR2GABBR1
SCHEMBL966816 0.74 MEN1 (0.58) KDM4EMEN1KMT2A
SCHEMBL21484760 0.73 KDM4E (0.47) EPHX2EPHX1KDM4EALDH1A1POLB
SCHEMBL9540366 0.73 PDE2A (0.37) EPHX2EPHX1KDM4EALDH1A1POLB
SCHEMBL1565871 0.73 EPHX2 (0.49) EPHX2EPHX1KDM4EALDH1A1POLB
SCHEMBL9153116 0.73 SLC6A2 (0.42) POLBMEN1MITFKMT2ASLC6A4
SCHEMBL9966337 0.73 SLC6A2 (0.42) POLBMEN1MITFKMT2ASLC6A4

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
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed