SCHEMBL5183571

SCHEMBL5183571

Oc1cc(O)c(F)c(C=Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.53
▸ PTPN1 P18031 2/20 0.51
▸ NFE2L2 Q16236 4/20 0.48
▸ SLC5A1 P13866 1/20 0.47
▸ SLC5A2 P31639 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PTGS1 P23219 3/20 0.44
▸ SYNJ2 O15056 1/20 0.44
▸ TTR P02766 1/20 0.44

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
SCHEMBL5183564 1.00 TRPA1 (0.53) TRPA1PTPN1NFE2L2SLC5A1SLC5A2
SCHEMBL31414593 0.87 PTPN1 (0.68) TRPA1PTPN1NFE2L2KDM4EMEN1
SCHEMBL31414592 0.87 PTPN1 (0.68) TRPA1PTPN1NFE2L2KDM4EMEN1
SCHEMBL27677458 0.81 PTPN1 (0.76) TRPA1PTPN1NFE2L2SLC5A1SLC5A2
SCHEMBL11289265 0.79 PTPN1 (0.60) TRPA1PTPN1NFE2L2SLC5A1SLC5A2
SCHEMBL2720853 0.79 TRPA1 (0.53) TRPA1PTPN1SLC5A1SLC5A2KDM4E
SCHEMBL2720849 0.79 TRPA1 (0.53) TRPA1PTPN1SLC5A1SLC5A2KDM4E
SCHEMBL6229519 0.76 SLC5A1 (0.61) TRPA1PTPN1SLC5A1SLC5A2KDM4E
SCHEMBL6229522 0.76 SLC5A1 (0.61) TRPA1PTPN1SLC5A1SLC5A2KDM4E
SCHEMBL30358577 0.76 SLC5A1 (0.61) TRPA1PTPN1SLC5A1SLC5A2KDM4E

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-1753708-A4 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2007-12-26 — — EP disclosed
EP-1753708-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME Brigham Young University (US) 2007-02-21 — — EP disclosed
WO-2005069998-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY TECHNOLOGY TRANSFER OFFICE (US) 2005-08-04 — — WO disclosed
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