SCHEMBL27280910

SCHEMBL27280910

C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CC[C]=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.52
CTSK P43235 3/20 0.49
CTSL P07711 4/20 0.49
CTSS P25774 4/20 0.49
CTSB P07858 3/20 0.49
CTSD P07339 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
TACR1 P25103 1/20 0.47
CTRB1 P17538 2/20 0.46
CYP1A2 P05177 1/20 0.45
SPPL2A Q8TCT8 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
SCHEMBL6446525 0.85 CTSD (0.60) RENCTSKCTSLCTSSCTSB
SCHEMBL7330753 0.84 REN (0.49) RENCTSKCTSLCTSSCTSB
SCHEMBL7332756 0.83 REN (0.48) RENCTSKCTSLCTSSCTSB
SCHEMBL7328082 0.82 CTSD (0.55) RENCTSD
SCHEMBL7328076 0.82 CTSD (0.55) RENCTSD
SCHEMBL7328968 0.81 CTSD (0.54) RENCTSD
SCHEMBL7320103 0.80 CTSD (0.59) RENCTSD
SCHEMBL7332296 0.79 CTSD (0.70) RENCTSKCTSBCTSDTRPM8
SCHEMBL15095633 0.79 CTSD (0.70) RENCTSKCTSBCTSDTRPM8
SCHEMBL7332555 0.79 CTSD (0.58) RENCTSD

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
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed