SCHEMBL24779914

SCHEMBL24779914

N[C@@H](Cc1ccccc1)C(=O)NC(CSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.50
▸ ALPI P09923 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ XIAP P98170 1/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ MME P08473 1/20 0.47
▸ LTA4H P09960 1/20 0.46

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
SCHEMBL29744501 1.00 CTSC (0.50) CTSCALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL29744488 0.94 CTSC (0.45) CTSCALPIPKMPTGS1XIAP
SCHEMBL9810258 0.85 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL9810266 0.85 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL10420940 0.85 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL24779170 0.83 GPR139 (0.50) MME
SCHEMBL23152575 0.83 GPR139 (0.50) MME
SCHEMBL23152578 0.83 GPR139 (0.50) MME
SCHEMBL23154556 0.83 CTSC (0.53) CTSCALPIPKMPTGS1XIAP
SCHEMBL825577 0.82 MME (0.67) CTSCALPIPKMPTGS1XIAP

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-20220396643-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-15 — — US disclosed
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