SCHEMBL3885211

SCHEMBL3885211

CCCCCN(C)OC(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.46
NAAA Q02083 1/20 0.45
KDM5A P29375 3/20 0.39
DGKA P23743 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL4891467 0.98 DNM1 (0.49) DNM1NAAAKDM5ADGKAS1PR2
SCHEMBL254321 0.98 DNM1 (0.44) DNM1NAAAKDM5ADGKAS1PR2
SCHEMBL31494293 0.85 ALDH1A1 (0.39) DNM1NAAAALDH1A1KDM5C
SCHEMBL11412630 0.84 DNM1 (0.56) DNM1KDM5ADGKAALDH1A1CES2
SCHEMBL2750539 0.83 DNM1 (0.42) DNM1KDM5AS1PR2S1PR1S1PR3
SCHEMBL8781867 0.81 ALDH1A1 (0.41) DNM1KDM5AS1PR2S1PR1S1PR3
SCHEMBL31190462 0.80 DNM1 (0.60) DNM1DGKACES2CES1LMNA
SCHEMBL25198827 0.79 NAAA (0.50) DNM1NAAAKDM5ADGKAALDH1A1
SCHEMBL25211926 0.79 NAAA (0.50) DNM1NAAAKDM5ADGKAALDH1A1
SCHEMBL25218755 0.79 NAAA (0.50) DNM1NAAAKDM5ADGKAALDH1A1

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-2010549-A1 CRYSTALLINE FORMS OF IBANDRONIC ACID AND PROCESSES FOR PREPARATION THEREOF Teva Pharmaceutical Industries Ltd (IL) 2009-01-07 EP claimed
WO-2007127249-A1 CRYSTALLINE FORMS OF IBANDRONIC ACID AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-08 WO claimed