SCHEMBL5833555

SCHEMBL5833555

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PTPN1 P18031 2/20 0.33
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL3755305 0.86 PTPN1 (0.47) TSHRALDH1A1PTPN1MAPT
SCHEMBL523379 0.84 ALDH1A1 (0.41) TSHRALDH1A1PTPN1
SCHEMBL7041787 0.82 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL15881925 0.78 PTPN1 (0.54) TSHRALDH1A1PTPN1MAPT
2-Undecylenic Acid SCHEMBL8535276 0.78 PTPN1 (0.54) TSHRALDH1A1PTPN1MAPT
SCHEMBL23924379 0.77 PTPN1 (0.45) ALDH1A1PTPN1KDM1AMAPT
SCHEMBL9751266 0.77 PTPN1 (0.45) ALDH1A1PTPN1KDM1AMAPT
SCHEMBL5654019 0.77 PTPN1 (0.45) ALDH1A1PTPN1KDM1AMAPT
SCHEMBL1740084 0.77 PTPN1 (0.45) ALDH1A1PTPN1KDM1AMAPT
SCHEMBL5654028 0.77 PTPN1 (0.45) ALDH1A1PTPN1KDM1AMAPT

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
US-7084209-B2 Block copolymer hot-melt processable adhesives, methods of their preparation, and articles therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-01 US disclosed
US-20040202881-A1 Block copolymer hot-melt processable adhesives, methods of their preparation, and articles therefrom 3M INNOVATIVE PROPERTIES COMPANY 2004-10-14 US disclosed