SCHEMBL28859526

SCHEMBL28859526

CC(=O)OC(C)C1OCCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL6359888 0.76
SCHEMBL27481672 0.75 TSHR (0.35) TSHR
SCHEMBL23743612 0.72 TRPV1 (0.35) TSHRTRPV1
SCHEMBL6050318 0.72
SCHEMBL5407143 0.70
SCHEMBL6848907 0.69 TDP1 (0.36) TSHRLMNA
SCHEMBL10349633 0.67 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL873507 0.67 TSHR (0.50) TSHRSMN1; SMN2LMNA
SCHEMBL11170830 0.67 TSHR (0.50) TSHRSMN1; SMN2LMNA
SCHEMBL1051503 0.67 TSHR (0.50) TSHRSMN1; SMN2LMNA

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
CN-107923120-A Composition for reducing malodour and use thereof 阿吉莱克斯香料和香水公司 2018-04-17 CN disclosed