SCHEMBL28640920

SCHEMBL28640920

CCC(C)COOC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.33
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ELANE P08246 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
SCHEMBL6900127 0.78 TSHR (0.31) TSHR
SCHEMBL2592643 0.78
SCHEMBL309720 0.76
SCHEMBL12239784 0.76
SCHEMBL27869082 0.76
SCHEMBL6465846 0.74
SCHEMBL29116788 0.74 MAPT (0.34) MAPTTSHRLMNA
SCHEMBL28734566 0.72 MAPT (0.36) MAPTTSHRFFAR1
Isopropyl Alcohol SCHEMBL3252052 0.71 ALDH1A1 (0.42) MAPTTSHRALDH1A1LMNAHSD17B10
SCHEMBL11421153 0.71 ALDH1A1 (0.37) TSHRALDH1A1LMNAHSD17B10

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-110099993-B High impact perfume microcapsules of balanced density 弗门尼舍有限公司 2021-08-24 CN claimed