SCHEMBL9546451

SCHEMBL9546451

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.45
▸ NR4A2 P43354 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PTGER3 P43115 4/20 0.35
▸ PTGER4 P35408 3/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PTGER2 P43116 3/20 0.35
▸ GALR3 O60755 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ UCHL3 P15374 1/20 0.34

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
SCHEMBL10619374 0.86 TRPA1 (0.59) TRPA1NR4A2ALDH1A1MEN1LMNA
SCHEMBL10619366 0.86 TRPA1 (0.59) TRPA1NR4A2ALDH1A1MEN1LMNA
SCHEMBL9546100 0.84 TRPA1 (0.34) TRPA1NR4A2ALDH1A1PTGER3PTGER4
SCHEMBL9546377 0.83 PTGER3 (0.33) TRPA1NR4A2ALDH1A1PTGER3PTGER4
SCHEMBL9734633 0.81 PTGER3 (0.35) ALDH1A1PTGER3PTGER4PPARGPTGER2
SCHEMBL9546206 0.81 PPARG (0.38) ALDH1A1MEN1HPGDKMT2APTGER3
SCHEMBL11039587 0.79 PDE4D (0.39) NR4A2ALDH1A1MEN1LMNAPOLB
SCHEMBL10620207 0.79 PDE4D (0.39) NR4A2ALDH1A1MEN1LMNAPOLB
SCHEMBL11400142 0.79 PDE4D (0.39) NR4A2ALDH1A1MEN1LMNAPOLB
SCHEMBL11040496 0.79 PDE4D (0.39) NR4A2ALDH1A1MEN1LMNAPOLB

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
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
US-4766147-A ANTITUMOR AGENTS TEIJIN LIMITED (JP) 1988-08-23 — — US disclosed
EP-0106576-B1 NOVEL 5-MEMBERED CYCLIC COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND PHARMACEUTICAL USE THEREOF TEIJIN LIMITED (JP) 1988-03-09 — — EP disclosed
EP-0106576-A2 Novel 5-membered cyclic compounds, process for the production thereof, and pharmaceutical use thereof TEIJIN LIMITED (JP) 1984-04-25 — — EP disclosed
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