SCHEMBL8400709

SCHEMBL8400709

N[C@@H](Cc1ccccc1)C(=O)N(C(=O)N1CCOCC1)[C@@H](CCc1ccccc1)C(=O)C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.41
CTSS P25774 6/20 0.40
CTSB P07858 4/20 0.40
CTSL P07711 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MMP8 P22894 1/20 0.39
HTT P42858 1/20 0.38
TMPRSS11D O60235 1/20 0.37
CTRL P40313 1/20 0.37
MLYCD O95822 1/20 0.37
PSMB5 P28074 3/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMD11 O00231 1/20 0.37
PSMD12 O00232 1/20 0.37
PSMD14 O00487 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMD3 O43242 1/20 0.37
CYP3A4 P08684 1/20 0.37
PSMC3 P17980 1/20 0.37

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
SCHEMBL8690686 0.75 ALDH1A1 (0.44) FKBP1ACTSSCTSBCTSLALDH1A1
SCHEMBL7107298 0.70 KMT2A (0.37) CTSSCTSBCTSLALDH1A1MMP8
SCHEMBL6163356 0.69 HDAC8 (0.64) FKBP1AALDH1A1TSHRMMP8MEN1
SCHEMBL6052947 0.69 HDAC8 (0.64) FKBP1AALDH1A1TSHRMMP8MEN1
Hydrochloric Acid SCHEMBL8307855 0.68 HDAC8 (0.65) FKBP1AALDH1A1MMP8POLB
Hydrochloric Acid SCHEMBL6350961 0.68 HDAC8 (0.65) FKBP1AALDH1A1MMP8POLB
SCHEMBL7356293 0.68 FKBP1A (0.43) FKBP1ACTSSCTSBCTSLALDH1A1
SCHEMBL7356298 0.68 FKBP1A (0.43) FKBP1ACTSSCTSBCTSLALDH1A1
SCHEMBL3493060 0.66 DPP4 (0.65) FKBP1ACTSSALDH1A1TSHRTACR2
SCHEMBL3495048 0.66 DPP4 (0.65) FKBP1ACTSSALDH1A1TSHRTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667854-B1 PEPTIDYL ACTIVATED KETONE INHIBITORS CONTAINING NATURAL AND UNNATURAL PEPTIDE SEQUENCES PROTOTEK INC (US) 1999-06-02 EP disclosed
EP-0667854-A1 PEPTIDYL ACTIVATED KETONE INHIBITORS CONTAINING NATURAL AND UNNATURAL PEPTIDE SEQUENCES PROTOTEK, INC., (US) 1995-08-23 EP disclosed
EP-0667854-A4 PEPTIDYL ACTIVATED KETONE INHIBITORS CONTAINING NATURAL AND UNNATURAL PEPTIDE SEQUENCES. PROTOTEK INC (US) 1995-07-04 EP disclosed
US-5374623-A Cysteine protease inhibitors effective for in vivo use PROTOTEK, INC. (US) 1994-12-20 US disclosed
WO-1994004172-A1 PEPTIDYL ACTIVATED KETONE INHIBITORS CONTAINING NATURAL AND UNNATURAL PEPTIDE SEQUENCES PROTOTEK, INC. (US) 1994-03-03 WO disclosed