SCHEMBL20097490

SCHEMBL20097490

C=CCCCC/C=C(/CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC(C)C)[C@H]1CC[C@@H](O)CCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 6/20 0.60
ABCB11 O95342 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
PDE4D Q08499 3/20 0.47
SLCO2A1 Q92959 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2B P41595 1/20 0.47
MC3R P41968 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SCN5A Q14524 1/20 0.47
PTGS1 P23219 1/20 0.44
TBXA2R P21731 2/20 0.40
FAAH O00519 2/20 0.38

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
SCHEMBL20097486 0.92 PDE4D (0.54) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL20097487 0.90 PTGFR (0.55) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL20097485 0.89 SLCO2A1 (0.60) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL18651349 0.85 PTGFR (0.72) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL20097488 0.85 PDE4D (0.46) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL19931407 0.83 PTGFR (0.70) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL19845838 0.82 PDE4D (0.59) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL18651341 0.80 PDE4D (0.59) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL20097489 0.79 PDE4D (0.53) PTGFRABCB11KDM4EMEN1MAPT
SCHEMBL18656717 0.79 PTGFR (0.83) PTGFRABCB11KDM4EMEN1MAPT

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-9956302-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-05-01 US disclosed