SCHEMBL20080293

SCHEMBL20080293

O=C1OC2(CCOc3cc(O)ccc32)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
FTO Q9C0B1 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
SMAD3 P84022 1/20 0.56
PRMT1 Q99873 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
LMNA P02545 3/20 0.49
GPR55 Q9Y2T6 2/20 0.49
POLB P06746 2/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL16772402 0.84 NPSR1 (0.45) MAPTFTOMEN1KMT2ATDP1
SCHEMBL20468616 0.81 MAPT (0.39) MAPTFTOMEN1KMT2ATDP1
SCHEMBL16755703 0.81 CYP3A4 (0.44) MAPTMEN1KMT2ATDP1HPGD
Fluorescein SCHEMBL4824411 0.73 FTO (0.97) MAPTFTOMEN1KMT2ATDP1
Fluorescein SCHEMBL4824399 0.73 FTO (0.97) MAPTFTOMEN1KMT2ATDP1
SCHEMBL16772538 0.72 MEN1 (0.59) MAPTFTOMEN1KMT2ATDP1
Fluorescein SCHEMBL16533 0.71 FTO (1.00) MAPTFTOMEN1KMT2ATDP1
Fluorescein SCHEMBL29371199 0.71 FTO (1.00) MAPTFTOMEN1KMT2ATDP1
Fluorescein SCHEMBL29388667 0.71 FTO (1.00) MAPTFTOMEN1KMT2ATDP1
Fluorescein SCHEMBL30272223 0.71 FTO (1.00) MAPTFTOMEN1KMT2ATDP1

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
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP disclosed