SCHEMBL6898725

SCHEMBL6898725

CC12CCCCC1OC(=O)OC(=O)O2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 3/20 0.32
LMNA P02545 3/20 0.32
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
TFPI2 P48307 1/20 0.32
PPP5C P53041 1/20 0.32
PPP2CA P67775 1/20 0.32
PPP1CA P62136 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11482383 0.87 CYP3A4 (0.34) TP53CYP3A4MAPK1LMNAHIF1A
SCHEMBL10587098 0.77
SCHEMBL11406258 0.64
SCHEMBL14087223 0.64
SCHEMBL7108599 0.64
SCHEMBL1262673 0.64
SCHEMBL919269 0.63 MAPK1 (0.34) TP53CYP3A4MAPK1LMNAHIF1A
SCHEMBL19256280 0.62
SCHEMBL22893445 0.61
SCHEMBL19251583 0.61 IDO1 (0.33) TP53CYP3A4MAPK1LMNAHIF1A

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-1044232-B1 RECLAIMED POLY(ETHYLENE TEREPHTHALATE) COATING SUN CHEMICAL CORP (US) 2004-08-04 EP claimed
EP-0307665-B1 Encapsulation composition and use thereof IBM (US) 1994-03-23 EP claimed