Glycerin

Glycerin

SCHEMBL15282002

C=CC(COC(C)=O)OC(C)=O.C=CCOCC=C.OCC(O)CO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
PRKCA P17252 1/20 0.31
CA4 P22748 1/20 0.30
CA9 Q16790 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
SCHEMBL15282001 0.93 CA1 (0.42) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL93559 0.82 TDP1 (0.48) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL93558 0.82 TDP1 (0.48) USP2CYP3A4MAPTSMN1; SMN2LMNA
Glycerin SCHEMBL11754257 0.79 CA1 (0.42) USP2CYP3A4MAPTSMN1; SMN2LMNA
Glycerin SCHEMBL27608711 0.79 CA1 (0.42) USP2CYP3A4MAPTSMN1; SMN2LMNA
Glycerin SCHEMBL27795609 0.79 LMNA (0.42) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL1831331 0.76 CA1 (0.53) USP2CYP3A4MAPTSMN1; SMN2LMNA
Acrylic Acid SCHEMBL6908863 0.76 TDP1 (0.43) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL31587668 0.76 CA1 (0.53) USP2CYP3A4MAPTSMN1; SMN2LMNA
Glycerin SCHEMBL10454285 0.75 CA1 (0.45) CYP3A4LMNAALDH1A1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644403-B1 METHOD FOR PRODUCING INKJET RECORDING MATERIAL JAPAN VAM & POVAL CO LTD (JP) 2016-10-05 EP disclosed
EP-2644403-A1 METHOD FOR PRODUCING INKJET RECORDING MATERIAL Japan Vam & Poval Co., Ltd. (JP) 2013-10-02 EP disclosed