SCHEMBL9625946

SCHEMBL9625946

C=CCN1C=CCC(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL9627410 0.73
SCHEMBL9626854 0.72
SCHEMBL11882708 0.71 S1PR5 (0.51)
Acrylic Acid SCHEMBL28489968 0.71 LMNA (0.42)
SCHEMBL10643890 0.68 PRCP (0.38)
SCHEMBL2405836 0.67 ABAT (0.38) ABATCHRNB2CHRNA3CHRNA4CHRNB3
Acetic Acid SCHEMBL28199121 0.67 GAA (0.30)
SCHEMBL17336186 0.67 ABAT (0.38) ABATCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL1173298 0.66
Hydrochloric Acid SCHEMBL9152336 0.66 ABAT (0.37) ABATCHRNB2CHRNA3CHRNA4CHRNB3

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
EP-0366171-B1 NUCLEOSIDE DERIVATIVES NYCOMED AS (NO) 1992-05-06 EP disclosed