SCHEMBL19867697

SCHEMBL19867697

CC1OCC(COC(=O)C(C)C)O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MGLL Q99685 2/20 0.31

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
SCHEMBL92977 0.85 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL17693132 0.82 ALDH1A1 (0.49) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL19115140 0.79 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL23656124 0.78 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL18408826 0.78 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL20349635 0.78 TP53 (0.45) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL17545513 0.77 ALDH1A1 (0.44) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL9923823 0.77 ALDH1A1 (0.75) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL14470794 0.77 ALDH1A1 (0.75) ALDH1A1CHRM2CHRM5CHRM1TSHR
SCHEMBL17581918 0.76 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4

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-1803784-B3 Inkjet recording composition, inkjet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2018-02-14 EP disclosed