SCHEMBL16168238

SCHEMBL16168238

CN[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 14/20 0.40
▸ CASP3 P42574 2/20 0.38
▸ IL1B P01584 2/20 0.35
▸ GNPAT O15228 1/20 0.35

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
SCHEMBL18133071 0.89 BMP1 (0.48) CASP1CASP3GNPAT
SCHEMBL21732968 0.88 GNPAT (0.35) CASP1CASP3IL1BGNPAT
SCHEMBL16168241 0.84 MME (0.39) CASP1GNPAT
SCHEMBL9924421 0.79 CTSK (0.38) CASP1
SCHEMBL6853153 0.78 — —
SCHEMBL12683542 0.78 — —
SCHEMBL20342120 0.78 — —
SCHEMBL11956575 0.77 GNPAT (0.49) GNPAT
SCHEMBL5668501 0.76 PAX8 (0.46) CASP1CASP3IL1B
SCHEMBL25583190 0.76 PAX8 (0.46) CASP1CASP3IL1B

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
EP-2789342-A1 TDF-related compounds and analogs thereof Thrasos Innovation, Inc. (CA) 2014-10-15 — — EP disclosed
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