SCHEMBL7429573

SCHEMBL7429573

COP(=O)(OC)C(O)C(CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.50
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL7429577 0.85 REN (0.46) RENCTSSCTSK
SCHEMBL7440606 0.81 REN (0.44) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7433143 0.81 REN (0.61) REN
SCHEMBL7428000 0.81 REN (0.61) RENCTSSCTSKCTSLCTSB
SCHEMBL7435734 0.81 REN (0.46) RENCTSSCTSK
SCHEMBL3819130 0.79 CTSS (0.61) RENCTSSCTSKGAAL3MBTL1
SCHEMBL7350020 0.79 REN (0.61) RENCTSSCTSK
SCHEMBL7433079 0.78 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3833311 0.78 CTSS (0.60) RENCTSSCTSKGAAL3MBTL1
SCHEMBL5050579 0.77 CTSS (0.56) RENCTSSCTSKGAAL3MBTL1

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
WO-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 WO claimed
EP-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP claimed
US-5217958-A Hypotensive agents E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US disclosed
WO-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 WO disclosed
EP-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP disclosed