SCHEMBL28858258

SCHEMBL28858258

CCC(C)(C)C1CCC(C(=O)C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.33
S1PR5 Q9H228 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL11023629 0.84 LMNA (0.42) HSD11B1GAAKDM4ES1PR5ALDH1A1
SCHEMBL11029634 0.84 LMNA (0.42) HSD11B1GAAKDM4ES1PR5ALDH1A1
SCHEMBL18628984 0.77 GRM2 (0.37) HSD11B1S1PR5ALDH1A1MAPTSMN1; SMN2
SCHEMBL2151480 0.76
SCHEMBL13509591 0.74 KDM4E (0.35) HSD11B1GAAKDM4EALDH1A1MAPT
SCHEMBL14679028 0.74 MAPT (0.46) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL6561011 0.74 EPHX1 (0.41) HSD11B1KDM4ES1PR5SMN1; SMN2HTT
SCHEMBL873565 0.73
SCHEMBL584738 0.73 LIPA (0.42) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10005807 0.73 HSD11B1 (0.36) HSD11B1GAAKDM4EALDH1A1MAPT

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-115175658-A Perfume system for perfumed consumer products 弗门尼舍有限公司 2022-10-11 CN disclosed