SCHEMBL4364375

SCHEMBL4364375

Cc1ncc(C[n+]2c(C(O)CCC(=O)O)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPP5C P53041 1/20 0.82
▸ LMNA P02545 2/20 0.59
▸ TKT P29401 6/20 0.54
▸ TDP1 Q9NUW8 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL31477791 0.90 PPP5C (0.70) PPP5CLMNATKTTDP1HSP90AA1
SCHEMBL2512165 0.88 PPP5C (0.68) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL1533810 0.87 PPP5C (0.67) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL3908684 0.84 PPP5C (0.64) PPP5CLMNATKTTDP1HSP90AA1
SCHEMBL4364379 0.84 PPP5C (0.66) PPP5CLMNATKTTDP1HSP90AA1
SCHEMBL30249786 0.82 LMNA (0.66) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL788235 0.81 LMNA (0.67) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL459651 0.80 LMNA (0.66) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL15320267 0.80 LMNA (0.65) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL5709836 0.77 TDP1 (0.60) PPP5CLMNATKTTDP1HSP90AA1

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-20250037787-A1 CONCENTRATION BOUNDS IN LARGE NETWORKS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-01-30 — — US disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 — — US disclosed
Send feedback