SCHEMBL9869456

SCHEMBL9869456

O=C1CC(OC2CCCCO2)C(CC2CCCCC2)N1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.35
ABCB1 P08183 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
SCHEMBL22440444 0.82 ABCB1 (0.34) ABCB1
SCHEMBL9868763 0.82 CTSD (0.35) CTSDABCB1
SCHEMBL14069029 0.77 ABCB1 (0.32) ABCB1
SCHEMBL20974655 0.70 SMYD2 (0.34) ABCB1
SCHEMBL7317587 0.70 NAAA (0.33) ABCB1
SCHEMBL8970758 0.68 CTSD (0.39) CTSD
SCHEMBL9866742 0.67 CTSD (0.60) CTSD
SCHEMBL9866747 0.67 CTSD (0.60) CTSD
SCHEMBL13734091 0.67 MEN1 (0.37)
SCHEMBL9181011 0.66 MEN1 (0.33)

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
US-5061808-A 2-oxo-1-pyrrolidine carboxylic acid esters WARNER-LAMBERT COMPANY (US) 1991-10-29 US disclosed
US-4876343-A Process for statine and statine analogs WARNER-LAMBERT COMPANY (US) 1989-10-24 US disclosed