SCHEMBL8901894

SCHEMBL8901894

C=C(C=C(C)C(=O)O)C(=O)OCCC(=O)NCCCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.39
CASP2 P42575 1/20 0.39
CNR1 P21554 1/20 0.38
FAAH O00519 3/20 0.38
TSHR P16473 2/20 0.37
NAAA Q02083 1/20 0.37
EPHX2 P34913 2/20 0.36

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
SCHEMBL8902507 0.87 FAAH (0.33) FAAHTSHR
SCHEMBL15741889 0.83 TSHR (0.40) ACHETSHR
SCHEMBL168598 0.82 TSHR (0.50) FAAHTSHRNAAA
SCHEMBL8351897 0.81 TSHR (0.57) ACHECASP2CNR1FAAHTSHR
SCHEMBL28078386 0.79 TSHR (0.60) ACHEFAAHTSHRNAAA
Methacrylic Acid SCHEMBL725335 0.79 TSHR (0.51) FAAHTSHRNAAA
SCHEMBL17063567 0.79 TSHR (0.60) ACHEFAAHTSHRNAAA
SCHEMBL6274865 0.79 TSHR (0.60) ACHEFAAHTSHRNAAA
SCHEMBL14660709 0.79 TSHR (0.60) ACHEFAAHTSHRNAAA
SCHEMBL459709 0.77 TSHR (0.50) ACHEFAAHTSHR

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-5639546-A CURED LAYER OF A CROSSLINKED POLYMER MATRIX AND DISPERSED COLLOIDAL METAL OXIDE PARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-17 US disclosed