SCHEMBL7423864

SCHEMBL7423864

CC(C)[C@H](COCc1ccccn1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.45
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CTSD P07339 1/20 0.41
ELANE P08246 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CA2 P00918 1/20 0.40
PGA5 P0DJD9 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL7418157 0.96 REN (0.45) RENCASP3CASP7CTSDELANE
SCHEMBL7421382 0.94 REN (0.42) RENCASP3CASP7CTSDELANE
SCHEMBL7415239 0.93 REN (0.41) RENCTSDELANEPGA5
SCHEMBL8945566 0.91 CTSD (0.47) RENCASP3CASP7CTSDMME
SCHEMBL7933938 0.91 CTSD (0.47) RENCASP3CASP7CTSDMME
SCHEMBL7421246 0.88 GPR132 (0.44) RENCTSDELANE
SCHEMBL7417968 0.88 GPR132 (0.44) RENCTSDELANE
SCHEMBL8054257 0.86 CTSD (0.48) RENCASP3CASP7CTSDCA2
SCHEMBL7418725 0.86 MME (0.46) MMEACECPA1ACE2MAOB
SCHEMBL8364492 0.85 CTSD (0.48) RENCASP3CASP7CTSDELANE

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
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 WO claimed
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed