SCHEMBL5317285

SCHEMBL5317285

CCCCOC(=O)N1CCCC(C(=O)c2ccccc2Oc2ccccc2CC)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM2B Q8NHM5 2/20 0.50
POLB P06746 3/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL973327 0.86 KDM2B (0.55) MEN1KMT2AKDM2BPOLBTSHR
SCHEMBL972842 0.85 KDM2B (0.51) MEN1KMT2AKDM2BPOLBTSHR
SCHEMBL972843 0.85 KDM2B (0.51) MEN1KMT2AKDM2BPOLBTSHR
SCHEMBL4972119 0.80 HRH2 (0.47) MEN1KMT2AKDM2BPOLBTSHR
SCHEMBL4972565 0.79 POLB (0.48) MEN1KMT2AKDM2BPOLBTSHR
SCHEMBL5604174 0.74 POLB (0.43) MEN1KMT2AKDM2BPOLBTSHR
SCHEMBL2357857 0.73 SMN1; SMN2 (0.49) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL5495665 0.73 SMN1; SMN2 (0.49) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8303596 0.73 SMN1; SMN2 (0.49) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL1860263 0.73 POLB (0.52) MEN1KMT2AKDM2BPOLBTSHR

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
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed