SCHEMBL9481263

SCHEMBL9481263

COC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](OC2CCCCO2)C(C)CC=C(C)C)[C@H](OC2CCCCO2)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SAE1 Q9UBE0 1/20 0.32
▸ UBA2 Q9UBT2 1/20 0.32
▸ PTGER2 P43116 1/20 0.30

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
SCHEMBL11074779 1.00 PDE4D (0.36) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL11074777 1.00 PDE4D (0.36) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL9481266 1.00 PDE4D (0.36) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL10883270 0.93 PDE4D (0.31) PDE4D
SCHEMBL10883120 0.93 PDE4D (0.31) PDE4D
SCHEMBL9482796 0.93 PTGER2 (0.34) PDE4DPTGER2
SCHEMBL10864876 0.93 PDE4D (0.31) PDE4D
SCHEMBL11076621 0.93 PDE4D (0.31) PDE4D
SCHEMBL11074840 0.93 PDE4D (0.31) PDE4D
SCHEMBL9482801 0.93 PTGER2 (0.34) PDE4DPTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204371-A Pharmaceutically active 9-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-20 — — US disclosed
US-5079259-A PHARMACEUTICALLY ACTIVE 9-CHLOROPROSTAGLANDINS SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-07 — — US disclosed
EP-0081455-B1 9-BROMO-PROSTAGLANDIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-09 — — EP disclosed
US-4487953-A 9-Bromoprostaglandins, their preparation, and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1984-12-11 — — US disclosed
US-4444788-A Pharmaceutically active 9-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-24 — — US disclosed
EP-0081455-A2 9-Bromo-prostaglandin derivatives, their preparation and pharmaceutical applications SCHERING AKTIENGESELLSCHAFT (DE) 1983-06-15 — — EP disclosed
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