SCHEMBL5367401

SCHEMBL5367401

CC(=O)C(C(C)=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 2/20 0.48
GLA P06280 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
AKR1B1 P15121 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2A P28223 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL5362864 0.84 MAPT (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4647200 0.76 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1882695 0.74 AKR1B1 (0.55) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27654127 0.74 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27654129 0.74 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4648011 0.74 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL29853852 0.74 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL67303 0.72 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL29491183 0.72 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL240650 0.72 UGT2B7 (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A

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
US-7232616-B2 Organic electroluminescent materials and devices made from such materials TSINGHUA UNIVERSITY (CN) 2007-06-19 US disclosed
US-20040001970-A1 Organic electroluminescent materials and devices made from such materials TSINGHUA UNIVERSITY (CN) 2004-01-01 US disclosed