SCHEMBL9546377

SCHEMBL9546377

CCCCCC(C=CC1C=C(SCC)C(=O)C1C(O)CCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 4/20 0.33
▸ PTGER4 P35408 3/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ NR4A2 P43354 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PTGER2 P43116 6/20 0.33
▸ PDE4D Q08499 1/20 0.32
▸ PPARA Q07869 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
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL9546100 0.93 TRPA1 (0.34) PTGER3PTGER4TRPA1NR4A2PPARG
SCHEMBL9546451 0.83 TRPA1 (0.45) PTGER3PTGER4TRPA1NR4A2PPARG
SCHEMBL9546168 0.81 PDE4D (0.36) PTGER3PTGER4PPARGPTGER2PDE4D
SCHEMBL9546323 0.80 TRPA1 (0.43) PTGER3PTGER4TRPA1NR4A2PPARG
SCHEMBL9546318 0.80 TRPA1 (0.43) PTGER3PTGER4TRPA1NR4A2PPARG
SCHEMBL9734633 0.78 PTGER3 (0.35) PTGER3PTGER4PPARGPTGER2PDE4D
SCHEMBL9546206 0.78 PPARG (0.38) PTGER3PTGER4PPARGPTGER2PDE4D
SCHEMBL9546383 0.77 PPARG (0.31) PPARGPPARA
SCHEMBL11039587 0.76 PDE4D (0.39) PTGER3PTGER4NR4A2PTGER2PDE4D
SCHEMBL11040496 0.76 PDE4D (0.39) PTGER3PTGER4NR4A2PTGER2PDE4D

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