SCHEMBL9776602

SCHEMBL9776602

CC(C)(C)OC(=O)CN1C(=O)[C]CCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.49
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9776600 0.80 MEN1 (0.47)
SCHEMBL29035758 0.80 POLB (0.54) CCKBRMAPTSMN1; SMN2
SCHEMBL7371764 0.80 CCKBR (0.51) CCKBRMAPTSMN1; SMN2
SCHEMBL5966758 0.78 CCKBR (0.48) CCKBRMAPTSMN1; SMN2
SCHEMBL8283797 0.77 CCKBR (0.61) CCKBRMAPTSMN1; SMN2
SCHEMBL5698825 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL30044625 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL5672901 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL30954347 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2
SCHEMBL10736517 0.76 CCKBR (0.60) CCKBRMAPTSMN1; SMN2

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-5066801-A PREPARATION OF SULFONIC ACID ESTERS CIBA-GEIGY CORPORATION (US) 1991-11-19 US claimed