SCHEMBL4437145

SCHEMBL4437145

CCCCCN(C)CCC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 9/20 0.59
KDM4C Q9H3R0 9/20 0.51
DNM1 Q05193 1/20 0.51
KDM5C P41229 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
LTA4H P09960 2/20 0.51
PHF8 Q9UPP1 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DGKA P23743 1/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4A O75164 2/20 0.46
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL11584747 0.98 KDM5A (0.60) KDM5AKDM4CDNM1KDM5CKDM5B
SCHEMBL12589584 0.98 KDM5A (0.60) KDM5AKDM4CDNM1KDM5CKDM5B
SCHEMBL11585402 0.98 KDM5A (0.60) KDM5AKDM4CDNM1KDM5CKDM5B
SCHEMBL11585949 0.94 KDM5A (0.53) KDM5AKDM4CDNM1KDM5CKDM5B
SCHEMBL20937014 0.92 LTA4H (0.54) KDM5AKDM4CDNM1KDM5CKDM5B
SCHEMBL8632462 0.88 CYP1A2 (0.55) KDM5AKDM4CDNM1LTA4HMEN1
SCHEMBL4788929 0.88 MEN1 (0.60) KDM5ADNM1LTA4HMEN1KMT2A
SCHEMBL22368576 0.86 KDM5A (0.49) KDM5AKDM4CDNM1KDM5CKDM5B
SCHEMBL31325278 0.86 CYP1A2 (0.57) KDM5AKDM4CDNM1KDM5CKDM5B
SCHEMBL31357603 0.86 CYP1A2 (0.57) KDM5AKDM4CDNM1KDM5CKDM5B

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
WO-2009093258-A2 A NEW AND IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM MONOHYDRATE FLEMING LABORATORIES LIMITED (IN) 2009-07-30 WO disclosed
WO-2009093258-A2 A NEW AND IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM MONOHYDRATE FLEMING LABORATORIES LIMITED (IN) 2009-07-30 WO disclosed
WO-2009093258-A2 A NEW AND IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM MONOHYDRATE FLEMING LABORATORIES LIMITED (IN) 2009-07-30 WO disclosed