SCHEMBL8570960

SCHEMBL8570960

BrC(Br)(Br)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 2/20 0.42
GAA P10253 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 3/20 0.40
ALOX5 P09917 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 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
SCHEMBL8569587 0.78 GAA (0.41) CHRM2ALDH1A1TDP1USP2GAA
SCHEMBL8570516 0.78 GAA (0.41) CHRM2ALDH1A1TDP1USP2GAA
SCHEMBL275345 0.78 ALDH1A1 (0.44) CHRM2ALDH1A1TDP1USP2GAA
SCHEMBL8323969 0.75 SLC6A2 (0.45) CHRM2ALDH1A1GAACYP3A4ALOX15
SCHEMBL12812535 0.75 ALDH1A1 (0.46) CHRM2ALDH1A1TDP1USP2GAA
SCHEMBL11060991 0.74 ALDH1A1 (0.61) CHRM2ALDH1A1TDP1USP2GAA
SCHEMBL538112 0.74
SCHEMBL6584208 0.74
SCHEMBL7094868 0.74 ALDH1A1 (0.67) CHRM2ALDH1A1TDP1USP2GAA
SCHEMBL15955869 0.73 GAA (0.38) CHRM2ALDH1A1TDP1USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed