SCHEMBL4543540

SCHEMBL4543540

O=C1C=c2cc3cc4cc5cc6c(cc5cc4cc3cc2-c2cc3cc4cc5cc7ccccc7cc5cc4cc3cc21)=CCC=C6

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP1 P29466 1/20 0.30
MPI P34949 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL795789 0.77 NPC1 (0.31) MEN1ALDH1A1LMNATP53POLB
SCHEMBL83008 0.65 ALDH1A1 (0.41) GAPDHMEN1ALDH1A1LMNATP53
SCHEMBL448679 0.65 ALDH1A1 (0.41) GAPDHMEN1ALDH1A1LMNATP53
SCHEMBL7654790 0.65 CDC25B (0.55) GAPDHMEN1ALDH1A1LMNATP53
SCHEMBL27549226 0.65 CDC25B (0.55) GAPDHMEN1ALDH1A1LMNATP53
SCHEMBL2591450 0.65 NPC1 (0.31) MEN1ALDH1A1LMNATP53POLB
SCHEMBL29569859 0.64 ALDH1A1 (0.38) MEN1ALDH1A1LMNATP53POLB
SCHEMBL30266554 0.64 ALDH1A1 (0.38) MEN1ALDH1A1LMNATP53POLB
SCHEMBL30060300 0.64 ALDH1A1 (0.38) MEN1ALDH1A1LMNATP53POLB
SCHEMBL29360186 0.64 ALDH1A1 (0.38) MEN1ALDH1A1LMNATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090117478-A1 Polycarbonate Resin and Electrophotographic Photosensitive Body Using Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-05-07 US disclosed