SCHEMBL7358262

SCHEMBL7358262

CCOC(OC)OC([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@@H]1COC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
AAK1 Q2M2I8 1/20 0.35
REN P00797 15/20 0.35
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
CACNA1B Q00975 1/20 0.31

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
SCHEMBL7278174 1.00 CTSS (0.38) CTSSCTSKAAK1RENCTSD
SCHEMBL7280431 0.88 CTSS (0.41) CTSSCTSKAAK1RENCTSD
SCHEMBL7290446 0.84 REN (0.39) CTSSCTSKAAK1RENCTSD
SCHEMBL7326618 0.84 REN (0.43) CTSSCTSKAAK1REN
SCHEMBL10592327 0.84 CTSS (0.40) CTSSCTSKAAK1RENCTSD
SCHEMBL7289842 0.82 CTSS (0.37) CTSSCTSKAAK1RENCTSD
SCHEMBL7278101 0.78 CTSS (0.38) CTSSCTSKAAK1RENCTSD
SCHEMBL10590662 0.77 CTSS (0.37) CTSSCTSKAAK1RENCTSD
SCHEMBL7280957 0.76 CTSS (0.42) CTSSCTSKAAK1RENCTSD
SCHEMBL7286725 0.75 REN (0.42) CTSSCTSKAAK1RENCTSD

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-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed