SCHEMBL5536414

SCHEMBL5536414

CCOC(=O)[C@@](F)(Oc1ccccc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
PIN1 Q13526 1/20 0.47
TSHR P16473 2/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
PPARA Q07869 1/20 0.45
KMT2A Q03164 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
THRB P10828 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL11655878 0.87 POLB (0.51) POLBNPSR1MAPTHTTPIN1
SCHEMBL24497220 0.83 POLB (0.50) POLBNPSR1MAPTHTTPIN1
SCHEMBL9086922 0.80 ELANE (0.41) MAPTHTTKDM4EALDH1A1
SCHEMBL11662324 0.79 POLB (0.47) POLBNPSR1MAPTHTTPIN1
SCHEMBL27313970 0.79 PIN1 (0.49) POLBNPSR1MAPTHTTPIN1
SCHEMBL27538707 0.78 POLB (0.46) POLBNPSR1MAPTHTTPIN1
SCHEMBL2824491 0.78 PPARA (0.71) PIN1TSHRABCB11CYP1A2CYP3A4
SCHEMBL9086639 0.77 CES1 (0.39) MAPTTSHRCYP1A2CYP3A4PPARA
SCHEMBL10654872 0.77 PPARA (0.55) POLBNPSR1MAPTHTTPIN1
SCHEMBL27352386 0.77 TSHR (0.51) POLBNPSR1MAPTHTTPIN1

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
EP-1353673-B1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2007-04-18 EP disclosed