SCHEMBL8736216

SCHEMBL8736216

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.53
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CMA1 P23946 1/20 0.47
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
HTRA1 Q92743 4/20 0.46
PSMB1 P20618 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB10 P40306 1/20 0.45
PSMB2 P49721 1/20 0.45

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
SCHEMBL8364492 0.92 CTSD (0.48) CTSDCMA1
SCHEMBL9421813 0.92 MME (0.48) CMA1MMEACECPA1ACE2
SCHEMBL8945318 0.91 CTSD (0.46) CTSDCTSSCTSKCMA1MME
SCHEMBL8041651 0.90 MME (0.47) CTSDCTSSCTSKCMA1MME
SCHEMBL8945590 0.90 CTSD (0.44) CTSDCTSSCTSKCMA1ACE
SCHEMBL8945610 0.88 MME (0.45) CTSDCTSSCTSKCMA1MME
SCHEMBL7422223 0.88 ITGB3 (0.45) CTSDCTSSCTSKCMA1MME
SCHEMBL7933938 0.87 CTSD (0.47) CTSDCTSSCTSKCMA1MME
SCHEMBL8945566 0.87 CTSD (0.47) CTSDCTSSCTSKCMA1MME
SCHEMBL7416869 0.86 MME (0.43) CTSDCTSSCTSKCMA1MME

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-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed