SCHEMBL7428042

SCHEMBL7428042

COP(=O)(OC)C(O)[C@H](CC1CCCCC1)N(C(=O)[C@@H](N)Cc1ccccc1)[C@@H](Cc1c[nH]cn1)C(=O)NC(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.36
▸ CTSD P07339 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL9575192 0.88 REN (0.39) REN
SCHEMBL7431811 0.86 PSMB5 (0.41) RENCTSD
SCHEMBL9575060 0.80 CTSS (0.33) RENCTSDALDH1A1
SCHEMBL7432319 0.78 PSMB5 (0.40) RENCTSD
SCHEMBL7493678 0.76 PSMB5 (0.42) RENCTSD
SCHEMBL7428035 0.76 REN (0.51) REN
SCHEMBL9574983 0.73 REN (0.46) REN
SCHEMBL7437072 0.73 REN (0.35) REN
SCHEMBL7432795 0.72 CTSD (0.38) RENCTSD
SCHEMBL7432441 0.71 REN (0.38) REN

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
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