SCHEMBL18779778

SCHEMBL18779778

CCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)c(F)c2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
S1PR1 P21453 1/20 0.35
RPS6KA3 P51812 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
APP P05067 2/20 0.34

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
SCHEMBL16349846 0.91 PTGS2 (0.40) PDE3BPDE3APTGS2PTGS1FEN1
SCHEMBL17615961 0.89 PTGS2 (0.41) PDE3BPDE3APTGS2PTGS1FEN1
SCHEMBL19229308 0.88 ALOX5AP (0.43) PDE3BPDE3APTGS2PTGS1ALOX5AP
SCHEMBL172359 0.85 PDE3B (0.47) PDE3BPDE3APTGS2PTGS1ALOX5AP
SCHEMBL15471663 0.84 ALOX5AP (0.40) PDE3BPDE3AALOX5APFEN1AKR1C3
SCHEMBL17356572 0.83 AKR1C3 (0.44) PDE3BPDE3APTGS2PTGS1ALOX5AP
SCHEMBL16377230 0.82 RARB (0.46) ALOX5APFEN1S1PR1SMN1; SMN2DGAT1
SCHEMBL17356562 0.82 AKR1C3 (0.40) PDE3BPDE3APTGS2ALOX5APFEN1
SCHEMBL12735617 0.81 FFAR4 (0.38) PDE3BPDE3APTGS2PTGS1S1PR1
SCHEMBL18779780 0.81 RARB (0.57) S1PR1MAPTRARB

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-3159393-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC Corporation (JP) 2017-04-26 EP disclosed