SCHEMBL6632832

SCHEMBL6632832

CN(C)C(=O)Oc1ccc(N([C@@](C)(C(=O)OC(C)(C)C)C(=O)[C@H]2NC(C)(C)CS2)S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.31

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
SCHEMBL6634428 0.93 ALDH1A1 (0.33)
SCHEMBL6632840 0.92 TDP1 (0.32)
SCHEMBL6633780 0.91 NCEH1 (0.32) NCEH1
SCHEMBL6632020 0.91 HDAC3 (0.35)
SCHEMBL6633008 0.84 ALDH1A1 (0.31)
SCHEMBL6633703 0.84 ALDH1A1 (0.37)
SCHEMBL6635534 0.84 ALDH1A1 (0.33)
SCHEMBL6635177 0.84 USP2 (0.32)
SCHEMBL6633768 0.83 TDP1 (0.35)
SCHEMBL6631926 0.83 USP2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed