SCHEMBL5843776

SCHEMBL5843776

CCOC(=O)c1cc(OCCC(C)CC(C)(C)C)c(C(=O)OCC)cc1OCCC(C)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5840947 0.83 TSHR (0.40) EGFRTSHRMAPK1ALDH1A1KDM4E
SCHEMBL5843785 0.82 EGFR (0.36) EGFRTSHRMAPK1CA1CA2
SCHEMBL6402890 0.80 TSHR (0.58) EGFRTSHRMAPK1CA2CYP3A4
SCHEMBL5826822 0.78 EGFR (0.54) EGFRTSHRMAPK1KMT2ACYP3A4
SCHEMBL31171420 0.74 TSHR (0.60) TSHRMAPK1CA12CA1CA2
SCHEMBL31171418 0.74 TSHR (0.60) TSHRMAPK1CA12CA1CA2
SCHEMBL29358453 0.73 ALDH1A1 (0.53) EGFRTSHRMAPK1CA2CYP3A4
SCHEMBL2807375 0.73 ALDH1A1 (0.53) EGFRTSHRMAPK1CA2CYP3A4
SCHEMBL25428188 0.72 KMT2A (0.46) TSHRMAPK1CA12CA1CA2
SCHEMBL668867 0.72 TSHR (0.54) TSHRMAPK1KMT2ACYP3A4ALDH1A1

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