SCHEMBL9676993

SCHEMBL9676993

C=C(C)C(=O)CCNC(=O)OCCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.63
TSHR P16473 2/20 0.54
EPHX2 P34913 2/20 0.52
EPHX1 P07099 1/20 0.51

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
SCHEMBL10287427 0.82 TSHR (0.73) ACHETSHREPHX2EPHX1
SCHEMBL13032964 0.82 TSHR (0.73) ACHETSHREPHX2EPHX1
SCHEMBL11318701 0.82 TSHR (0.73) ACHETSHREPHX2EPHX1
SCHEMBL13714882 0.82 TSHR (0.73) ACHETSHREPHX2EPHX1
SCHEMBL8029896 0.82 TSHR (0.73) ACHETSHREPHX2EPHX1
SCHEMBL7168064 0.81 ACHE (0.71) ACHEEPHX2EPHX1
SCHEMBL7168074 0.81 ACHE (0.71) ACHEEPHX2EPHX1
Ammonia Solution, Strong SCHEMBL27513551 0.81 TSHR (0.71) ACHETSHREPHX2EPHX1
SCHEMBL7693663 0.80 ACHE (0.89) ACHEEPHX2EPHX1
SCHEMBL13700148 0.80 ACHE (0.89) ACHEEPHX2EPHX1

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-5093414-A Protective coatings for steels HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed