SCHEMBL22092197

SCHEMBL22092197

NCCCCC(N)C(=O)OP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.52
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ DPP7 Q9UHL4 9/20 0.37
▸ DPP9 Q86TI2 5/20 0.37
▸ DPP8 Q6V1X1 4/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ RNPEP Q9H4A4 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.37
▸ CA4 P22748 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34

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
SCHEMBL874554 1.00 GSR (0.52) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL27731459 0.98 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL11801571 0.98 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
Fluoride SCHEMBL11671041 0.98 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5444478 0.98 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL1666692 0.98 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL8919007 0.94 GSR (0.44) GSRGNAI3GNAO1GNAI1DPP7
Fluoride SCHEMBL11670434 0.93 GSR (0.42) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL11803677 0.86 GSR (0.46) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL28638200 0.86 GSR (0.46) GSRGNAI3GNAO1GNAI1DPP7

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
EP-3893909-A2 KRAS VARIANT MRNA MOLECULES CureVac AG (DE) 2021-10-20 — — EP disclosed
WO-2020123300-A2 KRAS VARIANT MRNA MOLECULES ELI LILLY AND COMPANY (US) 2020-06-18 — — WO disclosed
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