SCHEMBL11213545

SCHEMBL11213545

CC1=CCC2C(=O)OC(=O)C2C1.O=C1OC(=O)C2C3C=CC(CC3)C12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.43
PGGT1B P53609 2/20 0.43
FNTB P49356 1/20 0.38
TDP1 Q9NUW8 3/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PPM1B O75688 1/20 0.31
LMNA P02545 1/20 0.31
PPP1CC P36873 1/20 0.31
TFPI2 P48307 1/20 0.31
RAB9A P51151 1/20 0.31
PPP5C P53041 1/20 0.31
PPP1CA P62136 1/20 0.31

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
SCHEMBL2265750 0.85 FNTA (0.49) FNTAPGGT1BFNTBTDP1GAA
SCHEMBL2265747 0.85 FNTA (0.49) FNTAPGGT1BFNTBTDP1GAA
SCHEMBL354462 0.85 FNTA (0.49) FNTAPGGT1BFNTBTDP1GAA
SCHEMBL9563129 0.80 FNTA (0.45) FNTAPGGT1BFNTBTDP1GAA
SCHEMBL5833458 0.76 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EGMNN
SCHEMBL2512784 0.76 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EGMNN
SCHEMBL10029224 0.76 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EGMNN
SCHEMBL351863 0.76 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EGMNN
SCHEMBL21117867 0.76 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EGMNN
SCHEMBL10028639 0.76 TDP1 (0.48) TDP1ALDH1A1KMT2AKDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4409364-A POLYETHYLENE, HIGH DENSITY POLYETHYLENE CHEMPLEX COMPANY (US) 1983-10-11 US claimed
EP-2771393-B1 COMPOSITION, FOAM, AND ARTICLE MADE THEREFROM EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-09-06 EP disclosed
EP-2771393-A2 COMPOSITION, FOAM, AND ARTICLE MADE THEREFROM ExxonMobil Chemical Patents Inc. (US) 2014-09-03 EP disclosed
WO-2013062685-A2 COMPOSITION, FOAM, AND ARTICLE MADE THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-05-02 WO disclosed
US-20130101826-A1 Composition, Foam and Article Made Therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2013-04-25 US disclosed