SCHEMBL7427990

SCHEMBL7427990

COP(=O)(OC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)Cc1cncn1COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.38
▸ CTSS P25774 3/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38

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
SCHEMBL9575108 0.89 REN (0.45) RENCTSSCTSLCTSB
SCHEMBL9575055 0.88 REN (0.45) RENCTSSCTSL
SCHEMBL9574994 0.88 REN (0.47) REN
SCHEMBL7427996 0.87 PLK1 (0.36) RENCTSSCTSLCTSB
SCHEMBL9575021 0.84 CTSS (0.49) RENCTSSCTSLCTSB
SCHEMBL9575107 0.84 REN (0.38) RENCTSSCTSLCTSB
SCHEMBL7382471 0.83 CTSS (0.39) RENCTSSCTSLCTSB
SCHEMBL9574993 0.83 REN (0.39) REN
SCHEMBL9575025 0.81 REN (0.46) REN
SCHEMBL9575060 0.80 CTSS (0.33) RENCTSSCTSLCTSB

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
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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