SCHEMBL10445944

SCHEMBL10445944

Bc1cc(C(C)=O)c(C(C)=O)c(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.36
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 1/20 0.32
CA5A P35218 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 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
SCHEMBL28572602 0.77 CA5A (0.50) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7262130 0.76 SMN1; SMN2 (0.50) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL27970836 0.75 KMT2A (0.41) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL27694250 0.75 KMT2A (0.43) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL27348413 0.73 TPMT (0.46) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL12111350 0.73 ALOX15 (0.35) SMN1; SMN2HTTALOX15ALOX12
SCHEMBL2286866 0.71 HPGD (0.38) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL1648663 0.70 SMN1; SMN2 (0.44) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7263483 0.70 SMN1; SMN2 (0.44) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7948015 0.70 HTT (0.44) CYP3A4MEN1KMT2AHPGDSMN1; SMN2

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-8222807-B2 Organic electroluminescence device and method of producing organic device MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-17 US disclosed
US-20100090590-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD OF PRODUCING ORGANIC DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-15 US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 US disclosed
US-20090309070-A1 COMPOSITIONS FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-17 US disclosed