SCHEMBL4018256

SCHEMBL4018256

CN(CCc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
UTS2R Q9UKP6 1/20 0.40
HPGD P15428 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
BACE1 P56817 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
GBA1 P04062 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL28315299 0.84 ACHE (0.43) KMT2APOLBGAAKDM4EALDH1A1
SCHEMBL4018252 0.82 KMT2A (0.39) KMT2APOLBGAACACNA1BAPBA1
SCHEMBL4016945 0.82 ALDH1A1 (0.53) KMT2ACACNA1BALDH1A1MAPTTDP1
SCHEMBL2525569 0.81 BACE1 (0.47) KMT2APOLBGAACACNA1BAPBA1
SCHEMBL28151828 0.81 POLB (0.44) KMT2APOLBGAACACNA1BAPBA1
SCHEMBL15580586 0.78 KMT2A (0.54) KMT2APOLBGAACACNA1BAPBA1
SCHEMBL18020598 0.76 KMT2A (0.57) KMT2APOLBGAACACNA1BAPBA1
SCHEMBL7458715 0.76 MLYCD (0.50) KMT2ALTB4RLTB4R2
SCHEMBL30264517 0.75 AOC3 (0.51) KMT2AGAAALDH1A1MEN1
SCHEMBL3014165 0.74 LTB4R (0.67) LTB4RLTB4R2FFAR1

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-2009092796-A1 SYNEPHRINE DERIVATIVES FOR THE TREATMENT OF CANCER UNIVERSITEIT GENT (BE) 2009-07-30 WO disclosed