SCHEMBL8002444

SCHEMBL8002444

C=CCCCCN(C)C(=O)C1C[C@H](Oc2cc(-c3nc(C(F)(F)F)cs3)nc3c(Cl)c(OC)ccc23)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.36
CTSB P07858 1/20 0.34
PPP3CB P16298 1/20 0.34
ABCC1 P33527 1/20 0.31
ABCC2 Q92887 1/20 0.31
ABCG2 Q9UNQ0 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
SCHEMBL15216085 1.00 UCHL1 (0.36) UCHL1CTSBPPP3CBABCC1ABCC2
SCHEMBL10247227 0.94 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL312962 0.94 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL312963 0.94 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL7994784 0.94 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL314074 0.91 CTSB (0.36) UCHL1CTSBPPP3CBABCC1ABCC2
SCHEMBL314075 0.91 CTSB (0.36) UCHL1CTSBPPP3CBABCC1ABCC2
SCHEMBL10247253 0.90 UCHL1 (0.36) UCHL1CTSBPPP3CB
SCHEMBL8005334 0.89 CTSB (0.32) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL12356928 0.89 CTSB (0.32) CTSBPPP3CBABCC1ABCC2ABCG2

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-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed