SCHEMBL5843785

SCHEMBL5843785

CCOC(=O)c1cc(OCCC(C)CC(C)(C)C)c(C(=O)O)c(CC)c1OCCC(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 2/20 0.30
PPARD Q03181 2/20 0.30
PPARA Q07869 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL5843776 0.82 EGFR (0.43) EGFRKDM4EALDH1A1CYP3A4TSHR
SCHEMBL5843779 0.80 MAPK1 (0.31) EGFRMAPK1
SCHEMBL668869 0.79 PTPN11 (0.41) ALDH1A1HPGDTSHRLMNA
SCHEMBL8106646 0.78 CYSLTR2 (0.35) KDM4EALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL8102311 0.78 CYSLTR2 (0.35) KDM4EALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL8100384 0.78 PTPN11 (0.37) KDM4EALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL8106327 0.78 PTPN11 (0.37) KDM4EALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL5840947 0.75 TSHR (0.40) EGFRKDM4EALDH1A1TSHRMAPK1
SCHEMBL6402890 0.69 TSHR (0.58) EGFRKDM4EALDH1A1CYP3A4HPGD
SCHEMBL5826822 0.68 EGFR (0.54) EGFRKDM4EALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105633-B2 Soluble poly(aryl-oxadiazole) conjugated polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-09-12 US disclosed
US-20050156516-A1 Soluble poly(aryl-oxadiazole) conjugated polymers WANG HAILIANG (US) 2005-07-21 US disclosed
US-6864352-B2 Soluble poly(aryl-oxadiazole) conjugated polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-08 US disclosed
EP-1274760-B1 SOLUBLE POLY(ARYL-OXADIAZOLE) CONJUGATED POLYMERS DUPONT DISPLAYS INC (US) 2004-03-24 EP disclosed
US-20030023029-A1 Soluble poly(aryl-oxadiazole) conjugated polymers DUPONT DISPLAYS, INC. 2003-01-30 US disclosed
EP-1274760-A2 SOLUBLE POLY(ARYL-OXADIAZOLE) CONJUGATED POLYMERS DuPont Displays, Inc. (US) 2003-01-15 EP disclosed
WO-2001077203-A2 SOLUBLE POLY(ARYL-OXADIAZOLE) CONJUGATED POLYMERS DUPONT DISPLAYS, INC. (US) 2001-10-18 WO disclosed