SCHEMBL20097488

SCHEMBL20097488

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2B P41595 1/20 0.46
MC3R P41968 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SCN5A Q14524 1/20 0.46
KDM4E B2RXH2 2/20 0.42
PTGFR P43088 2/20 0.42
MEN1 O00255 1/20 0.42
ABCB11 O95342 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL19845842 0.92 PDE4D (0.50) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18651345 0.87 PDE4D (0.50) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18651343 0.87 PDE4D (0.50) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18656683 0.87 PDE4D (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL20097490 0.85 PTGFR (0.60) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL19931409 0.84 PDE4D (0.48) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL19845838 0.83 PDE4D (0.59) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18656684 0.83 PDE4D (0.52) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL19851523 0.82 PDE4D (0.51) PDE4DPGRADORA3ADRA2CSLC6A2

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