SCHEMBL9458635

SCHEMBL9458635

CC(C)CC(O)C(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 1.00
▸ CTSD P07339 1/20 0.73
▸ PGA5 P0DJD9 1/20 0.73
▸ CTSE P14091 1/20 0.73
▸ PGC P20142 1/20 0.73

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
SCHEMBL9322095 0.85 REN (0.79) REN
SCHEMBL7436682 0.84 REN (0.73) REN
SCHEMBL8955003 0.81 REN (0.66) RENCTSDCTSE
SCHEMBL9322207 0.80 REN (0.67) RENCTSDCTSE
Hydrochloric Acid SCHEMBL8955332 0.79 REN (0.66) RENCTSDCTSE
SCHEMBL7320800 0.77 REN (0.77) RENCTSDPGA5CTSEPGC
SCHEMBL9458632 0.74 REN (0.58) REN
SCHEMBL7335450 0.73 REN (0.58) RENCTSDCTSE
SCHEMBL7388515 0.72 REN (0.67) RENCTSD
SCHEMBL7383710 0.72 REN (0.67) RENCTSD

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
US-5268483-A Process for the preparation of an L-alanine compound WARNER-LAMBERT COMPANY (US) 1993-12-07 — — US disclosed
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