SCHEMBL6202237

SCHEMBL6202237

O=C(O)CCC=CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
PPARG P37231 4/20 0.43
CYP19A1 P11511 2/20 0.43
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RXRA P19793 1/20 0.43
OXER1 Q8TDS5 1/20 0.43
BLM P54132 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GMNN O75496 2/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 2/20 0.39
APEX1 P27695 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ABCC4 O15439 1/20 0.37

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
SCHEMBL19114920 0.83 MAPT (0.55) MAPTPPARGCYP19A1ALDH1A1OXER1
SCHEMBL7394391 0.83 GMNN (0.32) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL18992838 0.83 MAPT (0.55) MAPTPPARGCYP19A1ALDH1A1OXER1
SCHEMBL4614060 0.77 THRB (0.39) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL4614062 0.77 THRB (0.39) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL5420623 0.76 PPARG (0.48) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL176452 0.76 PPARG (0.64) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL176453 0.76 PPARG (0.64) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL2540034 0.76 PPARG (0.64) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL6202148 0.75 ALDH1A1 (0.55) ALDH1A1CYP2D6ALOX15

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
EP-1501877-A1 FLUORINATED POLYMERS Honeywell International Inc. (US) 2005-02-02 EP claimed
WO-2003095505-A1 FLUORINATED POLYMERS HONEYWELL INTERNATIONAL INC. (US) 2003-11-20 WO claimed