SCHEMBL17471815

SCHEMBL17471815

Cc1ccc(-c2ccc(-c3cc(C)c(-c4cc(C)c(F)c(F)c4)c(C)c3)c(C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.36
RPS6KA3 P51812 3/20 0.36
PDK2 Q15119 1/20 0.36
PTGS1 P23219 5/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
DAPK3 O43293 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL20976650 0.95 RPS6KA3 (0.39) PTGS2RPS6KA3PDK2PTGS1AKR1C3
SCHEMBL18973377 0.88 PDE3B (0.40) PTGS2RPS6KA3PDK2PTGS1AKR1C3
SCHEMBL19019607 0.88 PDE3B (0.40) PTGS2RPS6KA3PDK2PTGS1AKR1C3
SCHEMBL17471813 0.83 MAPT (0.36) PTGS2PTGS1PDE3BPDE3A
SCHEMBL21181555 0.82 AKR1C3 (0.35) PTGS2PTGS1AKR1C3AKR1C2PDE3B
SCHEMBL26392530 0.81 RPS6KA3 (0.39) PTGS2RPS6KA3PDK2PTGS1AKR1C3
SCHEMBL18553009 0.79 PTGS2 (0.40) PTGS2RPS6KA3PDK2PTGS1PDE3B
SCHEMBL2741547 0.79 PDE3B (0.42) PTGS2RPS6KA3PDK2PTGS1AKR1C3
SCHEMBL2741562 0.79 PDE3B (0.42) PTGS2RPS6KA3PDK2PTGS1AKR1C3
SCHEMBL12719002 0.79 ACHE (0.39) PTGS2PTGS1AKR1C2

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-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed