SCHEMBL7358207

SCHEMBL7358207

CC(C)(C)OC(=O)OC(=O)[C@H](N)CC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL486372 0.88 CPN1 (0.41) CPN1CPB2ANPEPERAP2CTSS
SCHEMBL2390908 0.87 CTSK (0.40) CTSSCTSK
SCHEMBL10825237 0.86 CTSK (0.41) CTSSCTSK
SCHEMBL8706603 0.84 CTSS (0.35) CPB2ANPEPCTSSCTSK
SCHEMBL27438518 0.80 SLC6A1 (0.40) CPN1CPB2ANPEPERAP2CTSS
SCHEMBL17373534 0.77 CPN1 (0.44) CPN1CPB2ANPEPERAP2GNAI3
SCHEMBL17373535 0.77 CPN1 (0.44) CPN1CPB2ANPEPERAP2GNAI3
SCHEMBL23325684 0.77 CTSS (0.41) ANPEPCTSSCTSK
SCHEMBL5195565 0.77 CTSS (0.41) ANPEPCTSSCTSK
Hydrochloric Acid SCHEMBL27565472 0.76 CPN1 (0.42) CPN1CPB2ANPEPERAP2GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991015507-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 WO disclosed