SCHEMBL7220622

SCHEMBL7220622

CCOC(=O)C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
TDP1 Q9NUW8 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 2/20 0.33
TRPA1 O75762 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
LMNA P02545 2/20 0.31
PTPN1 P18031 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL24065910 0.98 POLB (0.37) POLBTDP1KMT2AMEN1MAPT
SCHEMBL7255531 0.98 POLB (0.37) POLBTDP1KMT2AMEN1MAPT
SCHEMBL8760475 0.87 TDP1 (0.39) POLBTDP1KMT2AMEN1MAPT
SCHEMBL7260249 0.83 KDM4E (0.35) POLBKMT2AMAPTKDM4ELMNA
SCHEMBL8157644 0.81 TDP1 (0.42) POLBTDP1KMT2AMEN1MAPT
SCHEMBL1771995 0.81 TDP1 (0.41) POLBTDP1KMT2AMEN1MAPT
SCHEMBL5356481 0.79 TDP1 (0.45) POLBTDP1KMT2AMEN1MAPT
SCHEMBL29098818 0.76 THRB (0.41)
SCHEMBL24065904 0.76 THRB (0.41)
SCHEMBL15920997 0.75 TDP1 (0.38) POLBTDP1KMT2AMEN1MAPT

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-6552069-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241166-A1 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed