SCHEMBL21067401

SCHEMBL21067401

O=CC(CC(=O)O)NC(=O)c1cncc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 10/20 1.00
▸ XDH P47989 5/20 0.64
▸ CTSA P10619 4/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ CASP1 P29466 2/20 0.44
▸ CASP2 P42575 2/20 0.44
▸ CASP4 P49662 2/20 0.44
▸ CASP5 P51878 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ CASP6 P55212 2/20 0.44
▸ CASP8 Q14790 2/20 0.44

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
SCHEMBL27986244 0.78 XDH (1.00) CASP3XDHCTSAMKNK1MKNK2
SCHEMBL10277099 0.72 CASP3 (0.57) CASP3CASP1CASP2CASP4CASP5
SCHEMBL17254443 0.71 MKNK1 (0.68) XDHMKNK1MKNK2
SCHEMBL28125494 0.69 XDH (0.61) CASP3XDHMKNK1MKNK2
SCHEMBL27986242 0.69 MKNK1 (0.87) CASP3XDHMKNK1MKNK2
SCHEMBL27986248 0.68 XDH (0.60) CASP3XDHMKNK1MKNK2
SCHEMBL31710514 0.68 MKNK1 (0.64) CASP3XDHMKNK1MKNK2
SCHEMBL15330383 0.68 MKNK1 (0.64) CASP3XDHMKNK1MKNK2
SCHEMBL15637147 0.68 CTSA (1.00) CTSA
SCHEMBL12190898 0.66 XDH (0.77) CASP3XDHCTSAMKNK1MKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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