SCHEMBL18697316

SCHEMBL18697316

O=C(OCc1cccc2c(O)cccc12)C(I)CI

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 1/20 0.37
▸ ESR1 P03372 3/20 0.34
▸ ESR2 Q92731 3/20 0.34
▸ CDC25B P30305 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ IAPP P10997 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ CA12 O43570 1/20 0.33

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
SCHEMBL18671831 0.87 CDC25B (0.39) CYBBESR1ESR2CDC25BHSD17B10
SCHEMBL18671828 0.78 IDO1 (0.40) CDC25BHSD17B10MEN1GAAMAPT
SCHEMBL8737610 0.77 CDC25B (0.39) CYBBESR1ESR2CDC25BHSD17B10
SCHEMBL17424793 0.75 CDC25B (0.39) CYBBESR1ESR2CDC25BMEN1
SCHEMBL19222211 0.73 ESR1 (0.35) CYBBESR1ESR2CDC25BHSD17B10
SCHEMBL20691726 0.73 TYR (0.41) CDC25BIAPPCA12CA1CA2
SCHEMBL19264731 0.73 CYBB (0.35) CYBBESR1ESR2CDC25BMEN1
SCHEMBL19558277 0.73 KDM4E (0.44) CYBBESR1ESR2CDC25BGAA
SCHEMBL14701302 0.73 THRB (0.40) CYBBESR1ESR2CDC25BHSD17B10
SCHEMBL10077942 0.72 CYBB (0.34) CYBBESR1ESR2CDC25BHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3032332-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-04-05 — — EP disclosed
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