SCHEMBL7445228

SCHEMBL7445228

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38
CAPN1 P07384 1/20 0.34
MMP2 P08253 4/20 0.34
MMP1 P03956 3/20 0.34
MMP3 P08254 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
HTT P42858 1/20 0.34
MMP7 P09237 2/20 0.33
MMP20 O60882 1/20 0.33
ADAMTS4 O75173 1/20 0.33
TNF P01375 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
SCHEMBL10358181 0.89 CA1 (0.42) CA1CA2CA7CTSLCTSS
SCHEMBL9676521 0.89 CA1 (0.46) CA1CA2CA7CTSLCTSS
SCHEMBL9675593 0.89 CA1 (0.46) CA1CA2CA7CTSLCTSS
SCHEMBL7438624 0.86 CA1 (0.40) CA1CA2CA7CTSLCTSS
SCHEMBL7443255 0.86 CA1 (0.39) CA1CA2CA7CTSLCTSS
SCHEMBL7430597 0.84 REN (0.45) CA1CA2CA7CTSSCTSK
SCHEMBL10866353 0.84 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9676607 0.84 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9677769 0.84 REN (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL9551921 0.84 REN (0.43) CA1CA2CA7CTSSCTSK

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
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 EP disclosed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 WO disclosed