SCHEMBL27699747

SCHEMBL27699747

CCOc1cccc(CC(=O)C=CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HDAC4 P56524 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1024193 0.85 CTBP2 (0.55) SMN1; SMN2ALDH1A1MEN1KMT2AHDAC3
SCHEMBL2458898 0.80 PLA2G4B (0.59) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL11216912 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL6599200 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL4010528 0.78 TP53 (0.51) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
Potassium Ion SCHEMBL28537818 0.78 RXRA (0.51) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL16902814 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL31285834 0.77 PPARA (0.57) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL2767480 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL2008583 0.77 PPARA (0.57) SMN1; SMN2KDM4EALDH1A1CHRM2CHRM1

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
CN-101146772-A Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound INST MATERIA MEDICA CAMS (CN) 2008-03-19 CN disclosed