SCHEMBL4902934

SCHEMBL4902934

CCOC(=O)CC1(C)OCC(C)(c2ccccc2C)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
APP P05067 3/20 0.37
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
NLRP3 Q96P20 2/20 0.34
PKM P14618 1/20 0.34
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6976939 0.77 GAA (0.44) GAAALDH1A1LMNACTDSP1SIGMAR1
SCHEMBL7815888 0.71 GAA (0.42) GAAALDH1A1LMNACTDSP1SIGMAR1
SCHEMBL11815671 0.69 ALDH1A1 (0.47) GAAALDH1A1LMNACTDSP1KMT2A
SCHEMBL30717248 0.67 TSHR (0.39) ALDH1A1
SCHEMBL11266506 0.67 GAA (0.47) GAAALDH1A1LMNASIGMAR1KCNH2
SCHEMBL180341 0.66 CTDSP1 (0.47) GAAALDH1A1LMNACTDSP1KMT2A
SCHEMBL9708908 0.66 CTDSP1 (0.42) GAAALDH1A1LMNACTDSP1KMT2A
SCHEMBL18512283 0.65 HTT (0.47) GAAALDH1A1LMNAAPPPKM
SCHEMBL8901599 0.64 GAA (0.47) GAAALDH1A1LMNASIGMAR1KCNH2
SCHEMBL20390470 0.64 GAA (0.39) GAAALDH1A1LMNAKMT2A

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-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed