SCHEMBL623404

SCHEMBL623404

COC(=O)CCCCCCC(=O)N[C@H](C(=O)NC(Cc1ccccc1)C(O)C(N)=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSD P07339 10/20 0.52

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
SCHEMBL623353 1.00 CTSD (0.52) CTSD
SCHEMBL621676 0.87 CTSD (0.50) CTSD
SCHEMBL621544 0.86 CTSD (0.45) CTSD
SCHEMBL7268478 0.86 CTSD (0.54) CTSD
SCHEMBL621465 0.84 CAPN1 (0.52) CTSD
SCHEMBL623185 0.83 CYP3A4 (0.54) CTSD
SCHEMBL8536153 0.83 CTSD (0.55) CTSD
SCHEMBL622810 0.82 CTSB (0.53) CTSD
SCHEMBL622823 0.81 CTSB (0.54) CTSD
SCHEMBL622809 0.80 HDAC1 (0.48) CTSD

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-2012021788-A2 DIPEPTIDE CALPAIN INHIBITORS BANYAN BIOMARKERS (US) 2012-02-16 WO disclosed
WO-2012021788-A2 DIPEPTIDE CALPAIN INHIBITORS BANYAN BIOMARKERS (US) 2012-02-16 WO disclosed