SCHEMBL7363529

SCHEMBL7363529

COC(=O)[C@H](CC(C)C)NC(=O)CCOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.54
PSMB5 P28074 1/20 0.51
CTSK P43235 3/20 0.50
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL7363526 1.00 BIRC2 (0.54) BIRC2PSMB5CTSKTAS1R3TAS1R1
SCHEMBL7364893 0.90 MME (0.52) PSMB5CTSK
SCHEMBL7364890 0.90 MME (0.52) PSMB5CTSK
SCHEMBL13611959 0.80 CTSK (0.74) CTSKCTSLCTSS
SCHEMBL14609392 0.80 CTSK (0.74) CTSKCTSLCTSS
SCHEMBL3978105 0.80 CTSK (0.74) CTSKCTSLCTSS
SCHEMBL26994877 0.80 HDAC1 (0.62)
SCHEMBL31506111 0.80 HDAC1 (0.62)
SCHEMBL7359157 0.80 PSMB1 (0.50) PSMB5CTSKCTSLCTSS
SCHEMBL31506178 0.79 HDAC1 (0.64)

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