SCHEMBL10939737

SCHEMBL10939737

C1CCCCCC(NCCCNCCCNC2CCCCCCCCCCC2)CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 0.66
CXCL12 P48061 1/20 0.66
KDM4E B2RXH2 1/20 0.43
RAD52 P43351 1/20 0.42
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL4745523 0.97 CXCR4 (0.62) CXCR4CXCL12KDM4EHRH4HRH3
SCHEMBL5932743 0.95 CXCR4 (0.60) CXCR4CXCL12HRH4HRH3
SCHEMBL3695429 0.92 CXCR4 (0.57) CXCR4CXCL12KDM4EHRH4HRH3
SCHEMBL9417435 0.92 CXCR4 (0.61) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL17733777 0.92 CXCR4 (0.61) CXCR4CXCL12KDM4ERAD52HRH4
Hydrochloric Acid SCHEMBL9714202 0.90 CXCR4 (0.59) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL16506040 0.89 CXCR4 (0.56) CXCR4CXCL12
SCHEMBL11453275 0.89 CXCR4 (0.56) CXCR4CXCL12KDM4E
SCHEMBL11523136 0.89 CXCR4 (0.57) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL11324082 0.89 CXCR4 (0.56) CXCR4CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4504661-A PHOTOSTABILIZERS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-12 US disclosed
EP-0042554-B1 POLYTRIAZINYL AMINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS STABILIZING AGENTS FOR SYNTHETIC POLYMERS AND POLYMERS STABILIZED WITH THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1984-03-14 EP disclosed
EP-0042554-A1 Polytriazinyl amines, process for their preparation, their use as stabilizing agents for synthetic polymers and polymers stabilized with these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-30 EP disclosed