SCHEMBL17901894

SCHEMBL17901894

CCC(C)(C(=O)OCc1cccc2c(O)cccc12)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CYBB P04839 1/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ IAPP P10997 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15189314 0.84 CDC25B (0.39) CDC25BCA12CA1CA2CA7
SCHEMBL8738362 0.84 CDC25B (0.39) CDC25BCA12CA1CA2CA7
SCHEMBL19558277 0.82 KDM4E (0.44) CDC25BCA12CA1CA2CA7
SCHEMBL18671832 0.82 CDC25B (0.37) CDC25BCA12CA1CA2CA7
SCHEMBL17424794 0.80 IAPP (0.36) CDC25BCA12CA1CA2CA7
SCHEMBL8737610 0.77 CDC25B (0.39) CDC25BCA12CA1CA2CA7
SCHEMBL19222211 0.76 ESR1 (0.35) CDC25BCA12CA1CA2CA7
SCHEMBL19264731 0.76 CYBB (0.35) CDC25BCA12CA1CA2CA7
SCHEMBL17901893 0.76 IDO1 (0.37) CDC25BCHRM2CHRM4CHRM5CHRM1
SCHEMBL8737838 0.76 RIPK1 (0.40) CDC25BCHRM2CHRM4CHRM5CHRM1

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-3040776-A1 PHOTOMASK BLANK, RESIST PATTERN FORMING PROCESS, AND METHOD FOR MAKING PHOTOMASK Shin-Etsu Chemical Co., Ltd. (JP) 2016-07-06 — — EP disclosed
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