SCHEMBL20051792

SCHEMBL20051792

CC(C)C(=O)CCN1C(=O)C(C)CC1O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.32

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
SCHEMBL21695251 0.83
SCHEMBL24978590 0.83
SCHEMBL20375297 0.82 TLR4 (0.32) CAPN1
SCHEMBL22688335 0.76 PAOX (0.33)
SCHEMBL20845391 0.75 HCRTR1 (0.30)
SCHEMBL18622390 0.74
SCHEMBL27320429 0.72 ALDH1A1 (0.33)
SCHEMBL21728703 0.72 L3MBTL1 (0.36)
SCHEMBL27320149 0.72 MTNR1A (0.34)
SCHEMBL20763500 0.71 EPHX2 (0.35) CAPN1

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-2018065501-A1 METHODS FOR PREPARING ANTIBODY DRUG CONJUGATES F. HOFFMANN-LA ROCHE AG (CH) 2018-04-12 WO disclosed