SCHEMBL9698950

SCHEMBL9698950

C=CCOC(=O)N(C)CCCN(CC(C)=O)C(=O)OCC=C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL9697817 0.88 TSHR (0.33) TSHR
SCHEMBL9697624 0.79 ACHE (0.35)
SCHEMBL9699061 0.79 TSHR (0.32) TSHR
SCHEMBL9697877 0.78 TSHR (0.34) TSHR
SCHEMBL14313840 0.76 TSHR (0.53) TSHR
SCHEMBL9697565 0.75 CASP1 (0.32)
SCHEMBL6332036 0.75 TSHR (0.56) TSHR
SCHEMBL8865298 0.74 EPHX2 (0.43) TSHR
SCHEMBL22508819 0.73 EPHX2 (0.46) TSHR
SCHEMBL8865287 0.73 TSHR (0.41) TSHR

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
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed