SCHEMBL20215438

SCHEMBL20215438

CCC(I)C(=O)OC(C)(C)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.33
CHRM4 P08173 5/20 0.33
CHRM1 P11229 5/20 0.33
CHRM3 P20309 5/20 0.33
EPHX1 P07099 3/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19261189 0.87 MEN1 (0.30) CHRM2CHRM4CHRM1CHRM3
SCHEMBL19261187 0.85
SCHEMBL24944950 0.84
SCHEMBL20215441 0.84 CHRM2 (0.32) CHRM2CHRM4CHRM1CHRM3
SCHEMBL20215440 0.83 EPHX1 (0.30) EPHX1
SCHEMBL110826 0.82 EPHX2 (0.36) CHRM2CHRM4CHRM1CHRM3EPHX1
SCHEMBL13137680 0.82 EPHX2 (0.36) CHRM2CHRM4CHRM1CHRM3EPHX1
SCHEMBL22402970 0.82 PDK1 (0.32) CHRM2CHRM4CHRM1CHRM3
SCHEMBL22402971 0.80
SCHEMBL825461 0.80 EPHX2 (0.34) CHRM2CHRM4CHRM1CHRM3EPHX1

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
US-10234757-B2 Polymer, making method, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-03-19 US disclosed
US-9989847-B2 Onium salt compound, resist composition, and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-05 US disclosed