SCHEMBL14768427

SCHEMBL14768427

Cc1ccc(CC(=O)OCc2cccc3ccccc23)cc1-c1cc(CC(=O)OCc2cccc3ccccc23)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 1/20 0.40
MCL1 Q07820 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR1 P25103 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
EPHX1 P07099 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
SCHEMBL14768432 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AL3MBTL1SMN1; SMN2AKR1B1
SCHEMBL17130187 0.81 L3MBTL1 (0.52) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL14768415 0.76 GAA (0.48) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL17124771 0.76 L3MBTL1 (0.47) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL14560472 0.73 APP (0.57) KDM4EFFAR1AKR1B1EPHX1
SCHEMBL8400366 0.71 EPHX1 (0.51) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL11628754 0.70 MEN1 (0.45) ALDH1A1KMT2AMEN1MAPTATM
SCHEMBL28535379 0.70 FFAR1 (0.59) KMT2AMEN1HPGDKDM4EMCL1
SCHEMBL21076155 0.70 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRMAPT
SCHEMBL3044895 0.69 CASP1 (0.62) ALDH1A1KMT2AMEN1HPGDKDM4E

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
WO-2013034756-A1 BIPHENYL COMPOUNDS FOR USE IN TREATING MALARIA AND OTHER PARASITIC DISORDERS MEDIZINISCHE HOCHSCHULE HANNOVER (DE) 2013-03-14 WO disclosed