SCHEMBL9546104

SCHEMBL9546104

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 4/20 0.36
▸ PTGER3 P43115 4/20 0.33
▸ PTGER4 P35408 3/20 0.33
▸ PRKCA P17252 2/20 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 2/20 0.31
▸ TYR P14679 1/20 0.31
▸ ABHD16A O95870 1/20 0.31
▸ PTGER2 P43116 2/20 0.31
▸ PPARA Q07869 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL9546168 0.93 PDE4D (0.36) PDE4DPTGER3PTGER4PRKCAEPHX2
SCHEMBL9546431 0.90 PDE4D (0.37) PDE4DPTGER3PTGER4PRKCAEPHX2
SCHEMBL9546356 0.87 PTGER3 (0.43) PDE4DPTGER3PTGER4PRKCAKDM4E
SCHEMBL9546354 0.87 PTGER3 (0.43) PDE4DPTGER3PTGER4PRKCAKDM4E
SCHEMBL10619328 0.84 NFKB1 (0.37) PDE4DPTGER3PTGER4PRKCAEPHX2
SCHEMBL9546183 0.81 EPHX2 (0.42) PDE4DPRKCAEPHX2ALDH1A1TYR
SCHEMBL9546184 0.81 EPHX2 (0.42) PDE4DPRKCAEPHX2ALDH1A1TYR
SCHEMBL9546100 0.80 TRPA1 (0.34) PDE4DPTGER3PTGER4EPHX2KDM4E
SCHEMBL9546268 0.79 PTGER3 (0.43) PDE4DPTGER3PTGER4KDM4EALDH1A1
SCHEMBL9546263 0.79 PTGER3 (0.43) PDE4DPTGER3PTGER4KDM4EALDH1A1

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-5216183-A Antitumor, anticarcinogenic agents; bone formation accelerators TEIJIN LIMITED (JP) 1993-06-01 — — US disclosed
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
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