SCHEMBL9675593

SCHEMBL9675593

CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](C[C@H](C(=O)O)C(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSK P43235 3/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.39
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.33
CAPN1 P07384 1/20 0.33

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
SCHEMBL9676521 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL7445228 0.89 CA1 (0.44) CA1CA2CA7CTSKCTSL
SCHEMBL13044120 0.88 CA1 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL2760872 0.88 CA1 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL13413134 0.88 CA1 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL10358181 0.87 CA1 (0.42) CA1CA2CA7CTSKCTSL
SCHEMBL10866353 0.86 REN (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL9676607 0.86 REN (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL9677769 0.86 REN (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL9551921 0.86 REN (0.43) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
US-4885025-A A PHENOXY-,-AMINO-,-ALKYLAMINO- OR -SULFIDO-SUBSTITUTED PHENYL ON THE NUMBER 1 RING NITROGEN FMC CORPORATION (US) 1989-12-05 US disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed