SCHEMBL4884997

SCHEMBL4884997

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 2/20 0.32
CD81 P60033 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
SCHEMBL31155700 0.88 TSHR (0.44) USP2ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL5050873 0.83 MAPT (0.33) USP2ALDH1A1MAPTALOX15CD81
SCHEMBL2763358 0.83 MAPT (0.33) USP2ALDH1A1MAPTALOX15CD81
SCHEMBL3164427 0.83 TSHR (0.49) USP2ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL6036748 0.83 TSHR (0.49) USP2ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL214500 0.83 TSHR (0.49) USP2ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL963513 0.83 TSHR (0.49) USP2ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL9339953 0.82 CD81 (0.36) CD81
SCHEMBL9339954 0.82 CD81 (0.36) CD81
SCHEMBL2504035 0.82 GSTP1 (0.30) USP2ALDH1A1CYP3A4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed
US-7419564-B2 Binding agents having barrier properties HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-02 US disclosed
US-20070178263-A1 Binder with barrier properties HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-08-02 US disclosed
US-20060162860-A1 Binding agents having barrier properties HENKEL AG & CO. KGAA (DE) 2006-07-27 US disclosed