SCHEMBL17901893

SCHEMBL17901893

CCC(C)(CC)C(=O)OCc1ccc(O)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.37
▸ CHRM2 P08172 2/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ CHRM5 P08912 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ LDHA P00338 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ NR3C1 P04150 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
SCHEMBL16705258 0.92 IDO1 (0.35) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL15189314 0.91 CDC25B (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8737838 0.89 RIPK1 (0.40) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18671830 0.86 IDO1 (0.35) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL17424794 0.84 IAPP (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8738362 0.80 CDC25B (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14477138 0.80 IDO1 (0.34) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL20332439 0.80 IDO1 (0.34) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18671832 0.78 CDC25B (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19558277 0.78 KDM4E (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3032333-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-05-24 — — EP disclosed
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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