SCHEMBL7364890

SCHEMBL7364890

CC(C)CC(NC(=O)CCOCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
FOLH1 Q04609 1/20 0.50
PSMB5 P28074 1/20 0.50
LTA4H P09960 1/20 0.50
ACE P12821 1/20 0.50
CTSK P43235 2/20 0.49
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48

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
SCHEMBL7364893 1.00 MME (0.52) MMEFOLH1PSMB5LTA4HACE
SCHEMBL7363529 0.90 BIRC2 (0.54) PSMB5CTSK
SCHEMBL7363526 0.90 BIRC2 (0.54) PSMB5CTSK
SCHEMBL5099185 0.86 MME (0.54) MMEFOLH1LTA4HACECTSK
SCHEMBL5099195 0.86 MME (0.54) MMEFOLH1LTA4HACECTSK
SCHEMBL7359157 0.82 PSMB1 (0.50) PSMB5CTSKCAPN1
SCHEMBL7272374 0.82 MME (0.58) MMEFOLH1LTA4HACE
SCHEMBL8078351 0.82 MME (0.58) MMEFOLH1LTA4HACE
SCHEMBL21759695 0.80 SMN1; SMN2 (0.63) MMELTA4HACE
SCHEMBL4268532 0.80 SMN1; SMN2 (0.63) MMELTA4HACE

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