SCHEMBL4968628

SCHEMBL4968628

O=C1OC(=O)[C@H]2CCCC12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
PPM1B O75688 1/20 0.42
LMNA P02545 1/20 0.42
PPP1CC P36873 1/20 0.42
TFPI2 P48307 1/20 0.42
RAB9A P51151 1/20 0.42
PPP5C P53041 1/20 0.42
PPP1CA P62136 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
STS P08842 3/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 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
SCHEMBL32690600 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL336246 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL4464324 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL5525143 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL18923859 1.00 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL24453673 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL22300107 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL20963065 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL22300602 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL22300609 0.97 KDM4E (0.40) KDM4EGMNNPPM1BLMNAPPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 EP disclosed
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 EP disclosed
EP-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO disclosed