SCHEMBL8750452

SCHEMBL8750452

CC(=O)C(C)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.47
FFAR3 O14843 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
THPO P40225 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
SCHEMBL27592712 0.93 TSHR (0.47) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL170212 0.81 TSHR (0.57) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL374099 0.81 LMNA (0.42) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL28131720 0.80 CES2 (0.41) ALDH1A1LMNATP53
SCHEMBL9395081 0.77 TSHR (0.53) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL27412728 0.77 TSHR (0.53) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL1940539 0.76
SCHEMBL28688836 0.73 TSHR (0.42) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL3632057 0.71
Pivalate SCHEMBL3197117 0.71 FFAR3 (0.50) TSHRALDH1A1FFAR3LCKFYN

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
EP-0367132-B1 Light-sensitive composition BASF AG (DE) 1997-04-02 EP claimed