SCHEMBL6233680

SCHEMBL6233680

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL6232727 0.91 ESR1 (0.57) ESR1TSHRTDP1SMN1; SMN2LMNA
SCHEMBL19636606 0.90 ALDH1A1 (0.50) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6230817 0.81 ESR1 (0.47) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6232641 0.81 ESR1 (0.49) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6232355 0.79 KDM4E (0.60) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6231473 0.79 ESR1 (0.48) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6232133 0.79 KDM4E (0.49) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6233268 0.78 KDM4E (0.48) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL21318173 0.77 ALDH1A1 (0.68) ESR1ALDH1A1TSHRCHRM1SLC6A2
SCHEMBL6229054 0.77 ESR1 (0.48) ESR1ALDH1A1TSHRCHRM1SLC6A2

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