SCHEMBL27625902

SCHEMBL27625902

NCc1ccccc1CC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 3/20 0.47
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
HIF1A Q16665 2/20 0.47
TRPA1 O75762 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
LMNA P02545 1/20 0.45
NR4A2 P43354 1/20 0.45
GLA P06280 1/20 0.44

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
SCHEMBL7196858 0.89 MAPT (0.61) MAPTKDM4ETDP1CYP3A4MAPK1
SCHEMBL8026821 0.85 GSK3B (0.48) MAPTCYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL3918774 0.82 MAPT (0.52) MAPTKDM4ETDP1CYP3A4MAPK1
SCHEMBL8026820 0.81 KMT2A (0.45) MAPTKDM4ETDP1CYP3A4MAPK1
SCHEMBL29557420 0.81 AKR1B1 (0.61) MAPTKDM4ETDP1SMN1; SMN2HPGD
SCHEMBL197933 0.81 AKR1B1 (0.61) MAPTKDM4ETDP1SMN1; SMN2HPGD
Bicarbonate SCHEMBL31055577 0.80 KDM4E (0.53) MAPTKDM4ETDP1CYP3A4MAPK1
Bicarbonate SCHEMBL27658688 0.80 KDM4E (0.53) MAPTKDM4ETDP1CYP3A4MAPK1
Bicarbonate SCHEMBL27658689 0.80 KDM4E (0.53) MAPTKDM4ETDP1CYP3A4MAPK1
SCHEMBL593745 0.80 MAPT (0.50) MAPTKDM4ETDP1CYP3A4MAPK1

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
CN-100410234-C Catalyst for asymmetric synthesis using chiral Bronsted acid and asymmetric synthesis method using the same TOAGOSEI CO LTD (JP) 2008-08-13 CN disclosed
CN-1780810-A Asymmetric-synthesis catalyst based on chiral broensted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO LTD (JP) 2006-05-31 CN disclosed