SCHEMBL11637458

SCHEMBL11637458

CCC(=O)OC1CCC=CO1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NAAA Q02083 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
SCHEMBL11636858 0.87 NAAA (0.38) USP2ALDH1A1ALOX15TDP1NAAA
SCHEMBL8429035 0.83 NAAA (0.40) USP2ALDH1A1ALOX15TDP1NAAA
SCHEMBL11508632 0.82 TSHR (0.41) ALDH1A1NAAA
SCHEMBL8092499 0.80 TSHR (0.42) CHRM2CHRM1
SCHEMBL3641088 0.78
SCHEMBL11640528 0.73 LMNA (0.34) USP2ALDH1A1ALOX15TDP1
SCHEMBL11639586 0.72 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL379887 0.72
SCHEMBL2901885 0.70 TSHR (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL27564583 0.70

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
US-4107289-A Use of substituted pyrans as deodorant chemicals NAARDEN INTERNATIONAL HOLLAND, B.V. (NL) 1978-08-15 US disclosed