SCHEMBL8947587

SCHEMBL8947587

CCOC(=O)CCN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(=N)NC(=O)OCC)C1)NS(=O)(=O)c1ccccc1C(=O)OC)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.46
ALDH1A1 P00352 2/20 0.38
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7293781 0.94 F2 (0.46) F2ALDH1A1
SCHEMBL7295658 0.91 F2 (0.46) F2ALDH1A1
SCHEMBL7306645 0.88 F2 (0.41) F2ALDH1A1F10PLGPRSS1
Hydrochloric Acid SCHEMBL8947651 0.87 F2 (0.44) F2ALDH1A1F10PLGPRSS1
SCHEMBL8947601 0.86 F2 (0.62) F2
SCHEMBL8947742 0.83 F2 (0.41) F2ALDH1A1RAB9A
SCHEMBL8947624 0.82 F2 (0.44) F2ALDH1A1
SCHEMBL8947542 0.79 F2 (0.40) F2ALDH1A1
SCHEMBL8947945 0.79 F2 (0.73) F2
Hydrochloric Acid SCHEMBL8947655 0.78 F2 (0.49) F2

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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed