SCHEMBL6233355

SCHEMBL6233355

CCCCOC(=O)c1ccc(Br)c(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.59
TSHR P16473 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 3/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL27268560 0.86 TSHR (0.66) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL20897173 0.84 TSHR (0.62) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL1980259 0.83 TSHR (0.53) ESR1TSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL20980660 0.83 TSHR (0.60) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL6229742 0.81 ESR1 (0.59) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL6230295 0.81 TSHR (0.58) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL20897156 0.79 TSHR (0.70) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL30239539 0.79 TSHR (0.70) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL19511055 0.79 ESR1 (0.47) ESR1TSHRTDP1L3MBTL1MAPK1
SCHEMBL11740048 0.78 ESR1 (0.63) ESR1TSHRTDP1L3MBTL1MAPK1

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