SCHEMBL8940589

SCHEMBL8940589

CC(C)(C)OC(=O)CN[C@H]1CCc2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.59
CCKBR P32239 3/20 0.59
MME P08473 2/20 0.59

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
SCHEMBL8676920 1.00 ACE (0.59) ACECCKBRMME
SCHEMBL8679247 0.92 CCKBR (0.61) ACECCKBR
SCHEMBL7488630 0.86 ACE (0.65) ACECCKBRMME
SCHEMBL11050154 0.85 ACE (0.66) ACECCKBRMME
SCHEMBL8673708 0.85 ACE (0.66) ACECCKBRMME
SCHEMBL7486156 0.81 CCKBR (0.72) CCKBR
SCHEMBL7486160 0.81 CCKBR (0.72) CCKBR
SCHEMBL10908178 0.80 ACE (0.76) ACECCKBRMME
SCHEMBL10908180 0.80 ACE (0.76) ACECCKBRMME
SCHEMBL27662942 0.79 ACE (0.68) ACECCKBRMME

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-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US disclosed