SCHEMBL9546461

SCHEMBL9546461

COC(=O)CCCCCC(O)C1C(=O)C=CC1C=CC(CCCCCO[SiH](C)C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ PPARG P37231 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NR4A1 P22736 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PPARA Q07869 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
SCHEMBL11118818 0.85 TRPA1 (0.36) TRPA1NR4A2MEN1ALDH1A1LMNA
SCHEMBL9546109 0.83 PPARG (0.30) PPARG
SCHEMBL9546383 0.82 PPARG (0.31) PPARGPPARA
SCHEMBL9546211 0.80 PPARG (0.35) PPARGPPARA
SCHEMBL10619366 0.78 TRPA1 (0.59) TRPA1NR4A2PPARGMEN1ALDH1A1
SCHEMBL10619374 0.78 TRPA1 (0.59) TRPA1NR4A2PPARGMEN1ALDH1A1
SCHEMBL9546442 0.76 PTGER2 (0.37) TRPA1NR4A2PPARGMEN1ALDH1A1
SCHEMBL9546451 0.73 TRPA1 (0.45) TRPA1NR4A2PPARGMEN1ALDH1A1
SCHEMBL10620216 0.72 PTGIR (0.33) PPARGPPARA
SCHEMBL9546110 0.71 — —

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 5 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
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