SCHEMBL8903646

SCHEMBL8903646

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.45
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMB5 P28074 1/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
CTSL P07711 1/20 0.44
AKT1 P31749 1/20 0.43
PTGER4 P35408 3/20 0.43
PTPN1 P18031 2/20 0.43
REN P00797 1/20 0.42
NPY4R P50391 1/20 0.41

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
SCHEMBL11128578 0.92 REN (0.44) CCKBRCTSSCTSBCTSKCTSL
SCHEMBL7355085 0.87 PTGER4 (0.55) CTSSCTSBCTSKCTSLPTGER4
SCHEMBL8495773 0.87 PTGER4 (0.55) CTSSCTSBCTSKCTSLPTGER4
SCHEMBL5419016 0.87 PTGER4 (0.55) CTSSCTSBCTSKCTSLPTGER4
SCHEMBL14969280 0.87 NPY4R (0.39) RENNPY4R
SCHEMBL9787696 0.86 CTSS (0.58) CTSSCTSBCTSKCTSLAKT1
SCHEMBL4413420 0.84 PTGER4 (0.58) CTSSCTSLPTGER4
SCHEMBL7358758 0.84 PTGER4 (0.58) CTSSCTSLPTGER4
SCHEMBL9022219 0.84 PTGER4 (0.46) PTGER4NPY4R
SCHEMBL3734177 0.83 MAP1LC3B (0.42) PTGER4RENNPY4R

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
US-5665366-A APPLYING ONE OR MORE STRATUM CORNEUM TRYPSIN-LIKE ENZYME FOR DRY FLAKY SKIN CONDITIONS, DANDRUFF OR ACNE ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1997-09-09 US claimed
US-5665366-A APPLYING ONE OR MORE STRATUM CORNEUM TRYPSIN-LIKE ENZYME FOR DRY FLAKY SKIN CONDITIONS, DANDRUFF OR ACNE ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1997-09-09 US disclosed
EP-0719133-A1 SKIN CARE METHOD AND COMPOSITION UNILEVER PLC (GB) 1996-07-03 EP disclosed
WO-1995007688-A1 SKIN CARE METHOD AND COMPOSITION UNILEVER PLC (GB) 1995-03-23 WO disclosed