SCHEMBL8736745

SCHEMBL8736745

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(O)C(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.61
PSMB11 A5LHX3 9/20 0.49
PSMA7 O14818 9/20 0.49
PSMB1 P20618 9/20 0.49
PSMA1 P25786 9/20 0.49
PSMA2 P25787 9/20 0.49
PSMA3 P25788 9/20 0.49
PSMA4 P25789 9/20 0.49
PSMB8 P28062 9/20 0.49
PSMB9 P28065 9/20 0.49
PSMA5 P28066 9/20 0.49
PSMB4 P28070 9/20 0.49
PSMB6 P28072 9/20 0.49
PSMB5 P28074 9/20 0.49
PSMB10 P40306 9/20 0.49
PSMB3 P49720 9/20 0.49
PSMB2 P49721 9/20 0.49
PSMA6 P60900 9/20 0.49
PSMA8 Q8TAA3 9/20 0.49
PSMB7 Q99436 9/20 0.49

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
SCHEMBL8945567 0.91 CTSD (0.53) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL8945683 0.89 CTSD (0.52) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL8945246 0.88 CTSD (0.53) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL7423701 0.88 CTSD (0.51) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL9095899 0.88 CTSD (0.53) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL8041703 0.86 CTSD (0.49) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL7807985 0.84 CTSD (0.56) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL8736216 0.84 CTSD (0.53) CTSDPSMB1PSMB8PSMB9PSMB5
SCHEMBL7807979 0.84 TRPM8 (0.56) CTSDPSMB1TRPM8CTSSCTSK
SCHEMBL7421386 0.83 CTSD (0.48) CTSDPSMB11PSMA7PSMB1PSMA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 WO disclosed