SCHEMBL7722015

SCHEMBL7722015

O=Cc1cc(-c2cc(C=O)c(C=O)c(C=O)c2C=O)c(C=O)c(C=O)c1C=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKDC P78527 1/20 0.32
ERN1 O75460 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL11804667 0.85 TDP1 (0.40) TDP1MEN1LMNATHRBBLM
SCHEMBL548692 0.80 MEN1 (0.46) TDP1MEN1LMNATHRBBLM
SCHEMBL604701 0.74 ALDH1A1 (0.41) TDP1MEN1LMNATHRBBLM
SCHEMBL548457 0.69 TDP1 (0.50) TDP1MEN1LMNATHRBBLM
SCHEMBL547605 0.69 CYP3A4 (0.35) TDP1ERN1KDM4EALDH1A1
SCHEMBL604700 0.69 ERN1 (0.39) TDP1MEN1LMNATHRBBLM
SCHEMBL547875 0.68 MEN1 (0.41) TDP1MEN1LMNATHRBBLM
SCHEMBL547850 0.67 ALDH1A1 (0.39) TDP1MEN1LMNATHRBBLM
SCHEMBL9797598 0.67 TDP1 (0.35) TDP1MEN1LMNATHRBBLM
SCHEMBL11183863 0.67 MEN1 (0.39) TDP1MEN1LMNATHRBBLM

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-1230400-A1 DEGRADATION OF POLYCYCLIC AROMATIC HYDROCARBONS University of Utah Research Foundation (US) 2002-08-14 EP disclosed
WO-2001032936-A1 DEGRADATION OF POLYCYCLIC AROMATIC HYDROCARBONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2001-05-10 WO disclosed