SCHEMBL6441918

SCHEMBL6441918

COC(=O)CCCC=CCC1C(O)CC(O)C1C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 1/20 0.64
HKDC1 Q2TB90 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SAE1 Q9UBE0 1/20 0.64
UBA2 Q9UBT2 1/20 0.64
PDE4D Q08499 5/20 0.50
TBXA2R P21731 4/20 0.47
PTGFR P43088 4/20 0.47
PTGER3 P43115 4/20 0.47
PTGER1 P34995 3/20 0.47
LMNA P02545 2/20 0.47
PTGER4 P35408 1/20 0.47
PTGDR Q13258 1/20 0.47
SLCO2A1 Q92959 1/20 0.47
PTGER2 P43116 1/20 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

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
SCHEMBL6441915 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11620081 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL13760079 0.89 PTGER2 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL21754428 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11420040 0.86 PDE4D (0.65) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11420043 0.86 PDE4D (0.65) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL12363806 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL11789450 0.83 ALDH1A1 (0.63) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8903403 0.83 ALDH1A1 (0.76) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8901630 0.83 ALDH1A1 (0.76) ALDH1A1KDM4EHKDC1TDP1SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021402-B1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS UNIV DUKE (US) 2005-11-23 EP disclosed
EP-1012137-B1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS PROCTER & GAMBLE (US) 2002-11-06 EP disclosed
US-6107338-A BONE DISORDERS; GLAUCOMA THE PROCTER & GAMBLE COMPANY (US) 2000-08-22 US disclosed
EP-1021402-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-07-26 EP disclosed
EP-1012137-A1 AROMATIC C 16?-C 20?-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-06-28 EP disclosed
US-6048895-A ANTAGONISTS OF PROSTAGLANDIN F FOR TREATING BONE FRACTURES AND DISEASES AND GLAUCOMA THE PROCTER & GAMBLE COMPANY (US) 2000-04-11 US disclosed
WO-1999012896-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 WO disclosed
WO-1999012899-A1 A PROCESS FOR MAKING PROSTAGLANDIN F ANALOGS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 WO disclosed
WO-1999012898-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 WO disclosed