SCHEMBL8367288

SCHEMBL8367288

CCC(=O)C1=CCC=CC(C(=O)CC)C(C(=O)CC)C=CCCC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL8367287 1.00 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL9069679 0.73
SCHEMBL873909 0.71 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL873910 0.71 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL3936517 0.68 HDAC2 (0.52) CHRNB2CHRNA4
SCHEMBL11949184 0.67
SCHEMBL19743478 0.63 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL19743479 0.63 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL19743477 0.63 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL19743514 0.62 HDAC4 (0.37)

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
WO-1999057233-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 1999-11-11 WO claimed
WO-1999057233-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 1999-11-11 WO disclosed