SCHEMBL29956891

SCHEMBL29956891

Cc1onc(C(=O)O)c1COc1cccc(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.52
MAOB P27338 7/20 0.52
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 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
SCHEMBL2557137 0.85 GAA (0.57) GAAALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL19287101 0.84 ALDH1A1 (0.62) MAOAMAOBGAAALDH1A1SMN1; SMN2
SCHEMBL2555866 0.76 MAOA (0.55) MAOAMAOBSMN1; SMN2KMT2ANPC1
SCHEMBL1633619 0.74 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2557646 0.74 PTGER4 (0.70) MAOAMAOBALDH1A1POLBNPC1
SCHEMBL2559705 0.74 NPC1 (0.62) MAOAMAOBALDH1A1SMN1; SMN2MEN1
SCHEMBL30165933 0.73 GAA (0.72) GAAALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL28588209 0.73 GAA (0.72) GAAALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL2560564 0.71 MAOA (0.52) MAOAMAOBALDH1A1SMN1; SMN2POLB
SCHEMBL31482043 0.70 MAOA (0.73) MAOAMAOBALDH1A1SMN1; SMN2TSHR

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed