SCHEMBL5840947

SCHEMBL5840947

CC(CCOc1cc(C(=O)O)c(OCCC(C)CC(C)(C)C)cc1C(=O)O)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.38
HTT P42858 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL5843776 0.83 EGFR (0.43) TSHRMAPK1EGFRALDH1A1KDM4E
SCHEMBL4652524 0.81 EGFR (0.46) HSD17B10MAPK1EGFRALDH1A1KDM4E
SCHEMBL8414526 0.81 PPARD (0.45) TSHRMAPK1EGFRALDH1A1
SCHEMBL9038729 0.80 MAPK1 (0.57) TSHRHSD17B10MAPK1HTTLCK
Hydrochloric Acid SCHEMBL9038923 0.79 MAPK1 (0.56) TSHRHSD17B10MAPK1HTTALDH1A1
SCHEMBL9058674 0.78 MAPK1 (0.68) TSHRHSD17B10MAPK1HTTALDH1A1
SCHEMBL5843785 0.75 EGFR (0.36) TSHRMAPK1EGFRALDH1A1KDM4E
SCHEMBL9058956 0.73 KMT2A (0.59) MAPK1
SCHEMBL6057622 0.73 EGFR (0.36) EGFRALDH1A1
SCHEMBL5826822 0.73 EGFR (0.54) TSHRHSD17B10MAPK1EGFRALDH1A1

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