SCHEMBL20122561

SCHEMBL20122561

Cc1oc(=O)oc1COC(=O)SC(C)(C)C(=O)N[C@@H](CS)C(=O)OC1CCCCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.30

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
SCHEMBL20122471 0.90 — —
SCHEMBL20122565 0.89 PSMB5 (0.30) —
SCHEMBL20122452 0.87 FOLH1 (0.32) —
SCHEMBL20122420 0.85 FOLH1 (0.31) —
SCHEMBL20122415 0.84 FOLH1 (0.30) —
SCHEMBL20122412 0.84 KDM4E (0.33) —
SCHEMBL20122562 0.82 CACNA1B (0.30) CACNA1B
SCHEMBL20122390 0.80 — —
SCHEMBL20122529 0.79 TACR1 (0.37) —
SCHEMBL20122566 0.79 CHRM1 (0.34) —

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-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 — — US disclosed
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