SCHEMBL21732968

SCHEMBL21732968

C=C(NC(CC(=O)O)C(=O)NC(C=O)CC(=O)O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.35
▸ CASP1 P29466 12/20 0.34
▸ BMP1 P13497 2/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ IL1B P01584 2/20 0.31

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
SCHEMBL16168238 0.88 CASP1 (0.40) GNPATCASP1CASP3IL1B
SCHEMBL18133071 0.84 BMP1 (0.48) GNPATCASP1BMP1CASP3
SCHEMBL16168241 0.80 MME (0.39) GNPATCASP1BMP1
SCHEMBL9924421 0.74 CTSK (0.38) CASP1
SCHEMBL19263682 0.73 GNPAT (0.51) GNPATBMP1
SCHEMBL22316503 0.73 GNPAT (0.51) GNPATBMP1
SCHEMBL13377669 0.72 GNPAT (0.46) GNPATBMP1
SCHEMBL27267745 0.72 GNPAT (0.46) GNPATBMP1
SCHEMBL11956575 0.71 GNPAT (0.49) GNPAT
SCHEMBL13402943 0.71 GNPAT (0.45) GNPATBMP1

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-3254678-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2020-02-19 — — EP disclosed
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