SCHEMBL8901597

SCHEMBL8901597

CCCCCC/C=C\[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
EPHX2 P34913 2/20 0.41
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2B P41595 1/20 0.38
MC3R P41968 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SCN5A Q14524 1/20 0.38
LMNA P02545 1/20 0.38
TBXA2R P21731 1/20 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
SCHEMBL8903251 1.00 PDE4D (0.51) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL8901601 1.00 PDE4D (0.51) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7671311 0.86 PDE4D (0.62) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7671298 0.86 PDE4D (0.62) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7671306 0.86 PDE4D (0.62) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL20016613 0.85 ALDH1A1 (0.43) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL23709136 0.78 ALDH1A1 (0.50) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11445397 0.77 KDM4E (0.45) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7673833 0.77 PDE4D (0.53) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL7673838 0.77 PDE4D (0.53) PDE4DALDH1A1KDM4EHKDC1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599837-A 15-DEOXYPROSTAGLANDINS SHIONOGI & CO., LTD. (JP) 1997-02-04 US disclosed
EP-0471856-B1 15-DEOXYPROSTAGLANDIN DERIVATIVE SHIONOGI & CO (JP) 1995-03-22 EP disclosed
US-5292754-A Using 15-deoxyprostaglandin derivative SHIONOGI & CO., LTD. (JP) 1994-03-08 US disclosed
EP-0471856-A1 15-DEOXYPROSTAGLANDIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 1992-02-26 EP disclosed