SCHEMBL7134178

SCHEMBL7134178

C=Cc1ccccc1[C](c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
AKT1 P31749 1/20 0.40
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFE2L2 Q16236 1/20 0.34
AKR1C3 P42330 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL7930451 0.81 ALDH1A1 (0.40) ALDH1A1AKT1TSHRMAPTKDM4E
SCHEMBL420326 0.81 ALDH1A1 (0.40) ALDH1A1AKT1TSHRMAPTKDM4E
SCHEMBL31727764 0.79 AKR1C3 (0.55) ALDH1A1AKT1MAPTKDM4EHPGD
SCHEMBL173243 0.79 AKR1C3 (0.55) ALDH1A1AKT1MAPTKDM4EHPGD
SCHEMBL2065186 0.78 CES2 (0.54) AKT1MAPTKDM4ECYP3A4HPGD
SCHEMBL3477934 0.77 ALDH1A1 (0.44) ALDH1A1AKT1TSHRMAPTKDM4E
SCHEMBL15704573 0.77 ALDH1A1 (0.44) ALDH1A1AKT1TSHRMAPTKDM4E
Water SCHEMBL6094264 0.76 CES2 (0.52) AKT1MAPTKDM4ECYP3A4HPGD
Ammonia Solution, Strong SCHEMBL4936520 0.76 CES2 (0.52) AKT1MAPTKDM4ECYP3A4HPGD
SCHEMBL31100 0.76 ALDH1A1 (0.56) ALDH1A1AKT1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506704-B1 Forming a non-ionic (neutral) late transition metal chelate which is useful as a catalyst for the polymerization of olefins CRYOVAC, INC. 2003-01-14 US disclosed
EP-1179025-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME Cryovac, Inc. (US) 2002-02-13 EP disclosed
EP-1171482-A1 OLEFIN POLYMERIZATION CATALYSTS AND PROCESSES FOR MAKING AND USING SAME Cryovac, Inc. (US) 2002-01-16 EP disclosed
EP-1171481-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME Cryovac, Inc. (US) 2002-01-16 EP disclosed
US-6197714-B1 USEFUL IN SLURRY AND GAS PHASE POLYMERIZATION OF OLEFINS CRYOVAC, INC. 2001-03-06 US disclosed
US-6197715-B1 USEFUL IN SLURRY AND GAS PHASE POLYMERIZATION OF OLEFINS CRYOVAC, INC. 2001-03-06 US disclosed
WO-2000056785-A1 OLEFIN POLYMERIZATION CATALYSTS AND PROCESSES FOR MAKING AND USING SAME CRYOVAC, INC. (US) 2000-09-28 WO disclosed
WO-2000056787-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME CRYOVAC, INC. (US) 2000-09-28 WO disclosed
WO-2000056786-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME CRYOVAC, INC. (US) 2000-09-28 WO disclosed