SCHEMBL12404366

SCHEMBL12404366

COc1ccc(C(C)c2ccc(OC(=O)c3ccc(Oc4ccc(C(=O)Oc5ccc(Oc6ccc(OC(=O)c7ccc(Oc8ccc(C(C)=O)cc8)cc7)cc6)cc5)cc4)cc3)c(C)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 6/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
XBP1 P17861 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL12376962 0.98 KMT2A (0.46) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL12404382 0.96 KMT2A (0.47) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL16807034 0.92 ALDH1A1 (0.44) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL12376953 0.92 ALDH1A1 (0.49) KMT2AALDH1A1MAPTGAATP53
SCHEMBL13324838 0.91 KMT2A (0.46) KMT2AALDH1A1MAPTGAATP53
SCHEMBL13324849 0.91 KMT2A (0.49) KMT2AALDH1A1MAPTGAARAB9A
SCHEMBL12903836 0.91 L3MBTL1 (0.47) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL12445365 0.89 ALDH1A1 (0.46) KMT2AALDH1A1MAPTGAATP53
SCHEMBL12677698 0.86 ALDH1A1 (0.47) KMT2AALDH1A1MAPTGAATP53
SCHEMBL15249585 0.86 KMT2A (0.52) KMT2AALDH1A1MAPTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985522-B2 Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 2011-07-26 US disclosed
US-20110013934-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-7604913-B2 Electrophotographic photosensitive body MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-20 US disclosed
US-20090047589-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-02-19 US disclosed
US-20080063963-A1 Electrophotographic Photosensitive Body MITSUBISHI CHEMICAL CORPORATION (JP) 2008-03-13 US disclosed