SCHEMBL5132572

SCHEMBL5132572

C=CC(=O)OC(C)(C)C.O=C(O)CC(O)C(=O)OC(=O)C(O)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
PGD P52209 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
THRB P10828 2/20 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
SCHEMBL1201601 0.81 SMN1; SMN2 (0.43) TSHRSMN1; SMN2ALDH1A1TP53HIF1A
Propionic Acid SCHEMBL5997033 0.79 FFAR3 (0.42) TSHRSMN1; SMN2ALDH1A1TP53HIF1A
SCHEMBL4582390 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PGDHDAC3HDAC1HDAC2
SCHEMBL18206138 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PGDHDAC3HDAC1HDAC2
Hydrogen Peroxide SCHEMBL27482921 0.77 LMNA (0.38) TSHRSMN1; SMN2ALDH1A1TP53HIF1A
SCHEMBL9644645 0.76 SMN1; SMN2 (0.41) TSHRSMN1; SMN2
Ethylene SCHEMBL459401 0.76 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TP53HIF1A
SCHEMBL11801952 0.76 SMN1; SMN2 (0.35) TSHRSMN1; SMN2ALDH1A1TP53HIF1A
Ethylene SCHEMBL3909087 0.75 SMN1; SMN2 (0.52) SMN1; SMN2PGD
SCHEMBL30658 0.75

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-20080318159-A1 POSITIVE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed