SCHEMBL17951017

SCHEMBL17951017

Cc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)cc3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDK2 Q15119 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
GRM2 Q14416 1/20 0.32
CYP2C19 P33261 2/20 0.32
APP P05067 2/20 0.32
PTGS2 P35354 4/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PTGS1 P23219 2/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL2741563 0.96 ALOX5AP (0.34) PDE3BPDE3AALOX5APFEN1PDK2
SCHEMBL15933152 0.96 ALOX5AP (0.34) PDE3BPDE3AALOX5APFEN1PDK2
SCHEMBL12625439 0.95 ALOX5AP (0.36) PDE3BPDE3AALOX5APFEN1PDK2
SCHEMBL20373869 0.95 ALOX5AP (0.34) PDE3BPDE3AALOX5APFEN1AKR1C3
SCHEMBL12814531 0.94 ALOX5AP (0.38) PDE3BPDE3AALOX5APFEN1PDK2
SCHEMBL15374870 0.92 ALOX5AP (0.39) PDE3BPDE3AALOX5APFEN1PDK2
SCHEMBL12624690 0.92 ALOX5AP (0.39) PDE3BPDE3AALOX5APFEN1PDK2
SCHEMBL14767335 0.92 ALOX5AP (0.39) PDE3BPDE3AALOX5APFEN1PDK2
SCHEMBL12929135 0.92 CYP11B1 (0.34) CYP2C19MAPTCYP1A2ARCYP11B1
SCHEMBL2741546 0.92 CYP11B1 (0.34) CYP2C19MAPTCYP1A2ARCYP11B1

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-20160215217-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-07-28 US disclosed