SCHEMBL8401459

SCHEMBL8401459

Cc1cc(C=O)c(O)c(C=O)c1.NCCCN

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.73
SRC P12931 2/20 0.41
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
SELE P16581 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRK6 P43250 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL546033 0.85 ERN1 (1.00) ERN1SRCSELLSELPSELE
SCHEMBL5031416 0.83 ERN1 (0.95) ERN1SRCSELLSELPSELE
SCHEMBL3982574 0.79 ERN1 (0.78) ERN1SRCSELLSELPSELE
SCHEMBL13855816 0.76 ERN1 (0.72) ERN1
SCHEMBL29957335 0.75 ERN1 (0.78) ERN1SRCSELLSELPSELE
SCHEMBL2788053 0.75 ERN1 (0.78) ERN1SRCSELLSELPSELE
SCHEMBL7117956 0.75 ERN1 (0.63) ERN1SRCMAPTMEN1USP2
SCHEMBL7117960 0.75 ERN1 (0.63) ERN1SRCMAPTMEN1USP2
SCHEMBL31612188 0.74 ERN1 (0.69) ERN1SRCGRK6
SCHEMBL210156 0.74 ERN1 (0.69) ERN1SRCGRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981424-A CATALYST CONSISTS OF A SUPPORT, TRANSITION METAL AND ATLEAST ONE MULTIDENTATE CHELATING, BINUCLEATING LIGAND COMPRISING HETEROATOM SITES CONTAINING NITROGEN, OXYGEN, SULFUR, PHOSPHORUS, ARSENIC ATOMS, ATLEAST ONE AMIDO OR IMINO GROUP SUNOCO, INC. (R&M) (US) 1999-11-09 US disclosed
US-5952532-A CONTACTING AROMATIC FEEDSTOCK WITH OXIDANT COMPRISING MOLECULAR OXYGEN IN PRESENCE OF A CATALYST COMPRISING A SUPPORT, TRANSITIONAL METALS AND A MULTIDENTATE CHELATING BINUCLEATING LIGAND AS PROMOTER SUNOCO, INC. (US) 1999-09-14 US disclosed
US-5861536-A USING A CATALYST COMPRISING A SUPPORT, TRANSITION METAL; AND A MONO- OR BINUCLEATING LIGAND COMPRISING AT LEAST ONE NITRO OR NITROSO GROUP SUN COMPANY, INC. (R&M) (US) 1999-01-19 US disclosed