SCHEMBL6232355

SCHEMBL6232355

CCCOC(=O)c1c(OC)ccc(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.46
ESR1 P03372 2/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HSD17B2 P37059 1/20 0.44
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL6234838 0.91 ESR1 (0.51) KDM4EPOLBESR1TSHRTDP1
SCHEMBL6232133 0.88 KDM4E (0.49) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL6233268 0.86 KDM4E (0.48) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL6229054 0.85 ESR1 (0.48) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL6230637 0.81 ESR1 (0.50) KDM4EPOLBESR1TSHRTDP1
SCHEMBL17502750 0.80 ALDH1A1 (0.55) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL6232641 0.79 ESR1 (0.49) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL6230817 0.79 ESR1 (0.47) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL6233680 0.79 ESR1 (0.47) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL6233285 0.79 KDM4E (0.54) KDM4EPOLBESR1ALOX5NR1H2

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-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed