SCHEMBL11097613

SCHEMBL11097613

O=C(O)c1ccc(C2OCCO2)o1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
S1PR1 P21453 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34
PIM1 P11309 1/20 0.33
CSNK2A1 P68400 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33

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
SCHEMBL31456124 0.93 TDP1 (0.39) TDP1HTTALDH1A1HPGDS1PR1
SCHEMBL20590031 0.76
SCHEMBL4257766 0.76 S1PR1 (0.57) TDP1HTTALDH1A1HPGDS1PR1
SCHEMBL4138249 0.75 NPC1 (0.42) ALDH1A1HPGDS1PR1NPSR1POLB
SCHEMBL20856090 0.74 S1PR1 (0.47) TDP1HTTALDH1A1HPGDS1PR1
Fluoride SCHEMBL20513066 0.73 TDP1 (0.58) TDP1HTTALDH1A1HPGDMEN1
Fluoride SCHEMBL21331933 0.73 TDP1 (0.58) TDP1HTTALDH1A1HPGDMEN1
Potassium SCHEMBL31706685 0.73 S1PR1 (0.46) TDP1HTTALDH1A1HPGDS1PR1
SCHEMBL38726 0.71 TDP1 (0.61) TDP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL11904537 0.71 TDP1 (0.61) TDP1ALDH1A1HPGDMEN1KMT2A

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-0120613-A1 Penem derivatives and precursors BEECHAM GROUP PLC (GB) 1984-10-03 EP disclosed