SCHEMBL9734633

SCHEMBL9734633

CCCCCC(C=CC1C(=O)C(C(O)CCCCCC(=O)OC)C2OC12)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 3/20 0.35
▸ PTGER4 P35408 2/20 0.35
▸ PDE4D Q08499 4/20 0.34
▸ PPARG P37231 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ UBA2 Q9UBT2 1/20 0.33
▸ PTGER2 P43116 2/20 0.33
▸ PPARA Q07869 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ FPR2 P25090 1/20 0.31

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
SCHEMBL9546206 0.86 PPARG (0.38) PTGER3PTGER4PDE4DPPARGKDM4E
SCHEMBL9546451 0.81 TRPA1 (0.45) PTGER3PTGER4PDE4DPPARGKDM4E
SCHEMBL10620207 0.79 PDE4D (0.39) PTGER3PTGER4PDE4DKDM4EALDH1A1
SCHEMBL11039586 0.79 PDE4D (0.39) PTGER3PTGER4PDE4DKDM4EALDH1A1
SCHEMBL11406810 0.79 PDE4D (0.39) PTGER3PTGER4PDE4DKDM4EALDH1A1
SCHEMBL11039587 0.79 PDE4D (0.39) PTGER3PTGER4PDE4DKDM4EALDH1A1
SCHEMBL11040496 0.79 PDE4D (0.39) PTGER3PTGER4PDE4DKDM4EALDH1A1
SCHEMBL11400142 0.79 PDE4D (0.39) PTGER3PTGER4PDE4DKDM4EALDH1A1
SCHEMBL9546100 0.79 TRPA1 (0.34) PTGER3PTGER4PDE4DPPARGKDM4E
SCHEMBL9546377 0.78 PTGER3 (0.33) PTGER3PTGER4PDE4DPPARGKDM4E

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-5116869-A Antitumor Agents, Bone Formation Accelerator TEIJIN LIMITED (JP) 1992-05-26 — — US disclosed
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