SCHEMBL6441469

SCHEMBL6441469

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC(C)N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.41
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
GGPS1 O95749 3/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
KCNH2 Q12809 4/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL11524376 1.00 DNM1 (0.41) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL28950672 0.98 DNM1 (0.37) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL11521822 0.91 MMP1 (0.34) PLA2G1BPLA2G2ACA12CA1CA9
SCHEMBL356598 0.91 DNM1 (0.41) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL11837765 0.87 LMNA (0.37) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL17240714 0.87 LMNA (0.37) DNM1PLA2G1BPLA2G2AGGPS1TSHR
Fluoride SCHEMBL28415262 0.85 LMNA (0.35) DNM1PLA2G1BPLA2G2AGGPS1TSHR
Hydrochloric Acid SCHEMBL11792917 0.85 DNM1 (0.36) DNM1PLA2G1BPLA2G2AGGPS1TSHR
SCHEMBL29173996 0.82 PLA2G1B (0.44) DNM1PLA2G1BPLA2G2AKCNH2
Fluoride SCHEMBL28344756 0.82 PLA2G1B (0.44) DNM1PLA2G1BPLA2G2AKCNH2

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-1269844-B1 Method for disinfecting and/or sterilising a dental unit CASTELLINI SPA (IT) 2005-08-31 EP claimed