SCHEMBL7068869

SCHEMBL7068869

COCC(COC)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
AKT1 P31749 1/20 0.40
PTGS2 P35354 1/20 0.39
ESR1 P03372 4/20 0.38
CYP19A1 P11511 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
ESRRB O95718 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL28119507 0.76 TSHR (0.44) TSHRAKT1HPGDMAPK1HTT
SCHEMBL7069411 0.75 CYP19A1 (0.39) TSHRAKT1PTGS2CYP19A1HPGD
SCHEMBL9047896 0.74 TSHR (0.43) TSHRAKT1HPGDMAPK1HTT
SCHEMBL1494022 0.74 ESR1 (0.38) TSHRAKT1PTGS2ESR1CYP19A1
SCHEMBL11787805 0.73 ESR1 (0.52) PTGS2ESR1CYP19A1ESR2CES2
SCHEMBL58239 0.73 MAOA (0.47) TSHRAKT1HPGDMAPK1HTT
SCHEMBL436125 0.73 TSHR (0.41) TSHRAKT1HPGDMAPK1HTT
SCHEMBL29875319 0.73 ALDH1A1 (0.41) TSHRAKT1HPGDMAPK1HTT
Benzene SCHEMBL28216395 0.73 KMT2A (0.56) TSHRHPGDMAPK1HTTCYP2C19
SCHEMBL54072 0.73 KMT2A (0.56) TSHRHPGDMAPK1HTTCYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891988-B1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2003-06-04 EP disclosed
EP-0451645-B1 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 1999-05-12 EP disclosed
EP-0891988-A2 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1999-01-20 EP disclosed
US-5068213-A COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS HINMONT INCORPORATED (US) 1991-11-26 US disclosed
EP-0451645-A2 Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC. (US) 1991-10-16 EP disclosed