SCHEMBL9505864

SCHEMBL9505864

COP(=O)(OC)C(N[C@@H](CC(C)C)C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
CTSK P43235 6/20 0.48
S1PR4 O95977 2/20 0.47
S1PR1 P21453 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL10421048 0.83 CTSK (0.60) CTSKS1PR4S1PR1CTSSCTSB
SCHEMBL22004938 0.81 CTSK (0.58) CTSKS1PR4S1PR1CTSSCTSB
SCHEMBL18775037 0.81 CTSK (0.58) CTSKS1PR4S1PR1CTSSCTSB
SCHEMBL10706801 0.80 CAPN1 (0.55) CTSKS1PR4S1PR1CTSSCTSB
SCHEMBL10706806 0.80 CAPN1 (0.55) CTSKS1PR4S1PR1CTSSCTSB
SCHEMBL10825080 0.80 CAPN1 (0.55) CTSKS1PR4S1PR1CTSSCTSB
SCHEMBL29577590 0.78 CTSK (0.55) CTSKS1PR4S1PR1CTSSCTSB
SCHEMBL9505358 0.78 ALDH1A1 (0.43) MEN1KMT2AMAPT
SCHEMBL9505878 0.78 ALDH1A1 (0.43) MEN1KMT2AMAPT
SCHEMBL7317922 0.77 MMP1 (0.47) CTSKS1PR4S1PR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320118-B1 PEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1993-06-02 EP disclosed
US-4935404-A ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1990-06-19 US disclosed
EP-0320118-A2 Peptides with collagenase inhibiting activity BEECHAM GROUP PLC (GB) 1989-06-14 EP disclosed