SCHEMBL9546168

SCHEMBL9546168

CCCCCC(C=CC1C=C(SCC)C(=O)C1=CCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 4/20 0.36
▸ PTGER3 P43115 4/20 0.33
▸ PTGER4 P35408 3/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SAE1 Q9UBE0 1/20 0.31
▸ UBA2 Q9UBT2 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ ABHD16A O95870 1/20 0.31
▸ PRKCA P17252 2/20 0.31
▸ PTGER2 P43116 2/20 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
SCHEMBL9546104 0.93 PDE4D (0.36) PDE4DPTGER3PTGER4EPHX2KDM4E
SCHEMBL9546268 0.87 PTGER3 (0.43) PDE4DPTGER3PTGER4KDM4EALDH1A1
SCHEMBL9546263 0.87 PTGER3 (0.43) PDE4DPTGER3PTGER4KDM4EALDH1A1
SCHEMBL9546431 0.84 PDE4D (0.37) PDE4DPTGER3PTGER4EPHX2KDM4E
SCHEMBL10619328 0.83 NFKB1 (0.37) PDE4DPTGER3PTGER4EPHX2KDM4E
SCHEMBL9546377 0.81 PTGER3 (0.33) PDE4DPTGER3PTGER4EPHX2KDM4E
SCHEMBL9546354 0.79 PTGER3 (0.43) PDE4DPTGER3PTGER4KDM4EALDH1A1
SCHEMBL9546356 0.79 PTGER3 (0.43) PDE4DPTGER3PTGER4KDM4EALDH1A1
SCHEMBL9546174 0.77 — —
SCHEMBL9546100 0.75 TRPA1 (0.34) PDE4DPTGER3PTGER4EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338796-B1 2-SUBSTITUTED-2-CYCLOPENTENONES TEIJIN LIMITED (JP) 1993-03-10 — — EP disclosed
US-5116869-A Antitumor Agents, Bone Formation Accelerator TEIJIN LIMITED (JP) 1992-05-26 — — US disclosed
EP-0338796-A2 2-Substituted-2-cyclopentenones TEIJIN LIMITED (JP) 1989-10-25 — — EP disclosed
Send feedback