SCHEMBL9458632

SCHEMBL9458632

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

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.58

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
SCHEMBL7436682 0.81 REN (0.73) REN
SCHEMBL9322087 0.79 REN (0.54) REN
SCHEMBL9458635 0.74 REN (1.00) REN
SCHEMBL9322095 0.69 REN (0.79) REN
SCHEMBL9388320 0.69 REN (0.48) REN
SCHEMBL7390864 0.68 REN (0.50) REN
SCHEMBL7392080 0.67 REN (0.50) REN
SCHEMBL7388512 0.66 REN (0.46) REN
SCHEMBL7387286 0.66 REN (0.46) REN
SCHEMBL9391787 0.66 REN (0.49) 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 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
Send feedback