SCHEMBL28564952

SCHEMBL28564952

CCC(OC(C)=O)C(=O)CN

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 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
SCHEMBL1323966 0.79 SMN1; SMN2 (0.32) TSHRSMN1; SMN2
SCHEMBL11384253 0.78 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5744405 0.78 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
Ether SCHEMBL21196853 0.77 ALDH1A1 (0.33) TSHRALDH1A1LMNAHSD17B10
SCHEMBL8211883 0.77 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6760890 0.77 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23175068 0.77 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9727500 0.77 ALOX15 (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12314349 0.77 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12314325 0.77 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R

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
CN-110137564-B Preparation method of porous solid electrolyte for lithium ion battery 中国科学院合肥物质科学研究院 2021-08-10 CN disclosed
CN-110098434-B Electrode-electrolyte double-layer flat block material in all-solid-state lithium battery and preparation method thereof 中国科学院合肥物质科学研究院 2021-04-27 CN disclosed