SCHEMBL10080802

SCHEMBL10080802

O=C1OC(=O)C2C1[C@H]1CC[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
GMNN O75496 1/20 0.55
PPM1B O75688 1/20 0.55
LMNA P02545 1/20 0.55
PPP1CC P36873 1/20 0.55
TFPI2 P48307 1/20 0.55
RAB9A P51151 1/20 0.55
PPP5C P53041 1/20 0.55
PPP1CA P62136 1/20 0.55
PMP22 Q01453 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 1/20 0.55
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55

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
SCHEMBL15498551 1.00 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL4570299 1.00 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL19576251 1.00 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL722306 1.00 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL15498640 1.00 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL21338787 1.00 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL12172590 0.88 KDM4E (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL15762393 0.88 KDM4E (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL15033322 0.87 KDM4E (0.44) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL12664900 0.86 KDM4E (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110265-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties THE COCA-COLA COMPANY (US) 2012-02-07 US disclosed
US-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 US disclosed