SCHEMBL9875018

SCHEMBL9875018

CO/C=C(\C(=O)OC)c1cccnc1Oc1ccccc1Oc1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
MAPK8 P45983 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL9875024 1.00 GAA (0.47) GAAALDH1A1MAPTTDP1HTT
SCHEMBL9875022 1.00 GAA (0.47) GAAALDH1A1MAPTTDP1HTT
SCHEMBL9487122 0.90 ALDH1A1 (0.49) GAAALDH1A1MAPTTDP1HTT
SCHEMBL9487132 0.90 ALDH1A1 (0.49) GAAALDH1A1MAPTTDP1HTT
SCHEMBL9487135 0.90 ALDH1A1 (0.49) GAAALDH1A1MAPTTDP1HTT
SCHEMBL9487912 0.85 TDP1 (0.65) GAAALDH1A1MAPTTDP1HTT
SCHEMBL29918292 0.82 TDP1 (0.42) GAAALDH1A1MAPTTDP1MAPK8
SCHEMBL29470271 0.81 HPGD (0.43) GAAALDH1A1MAPTTDP1MAPK8
SCHEMBL10517647 0.81 TDP1 (0.50) GAAALDH1A1MAPTTDP1HTT
SCHEMBL10517652 0.81 TDP1 (0.50) GAAALDH1A1MAPTTDP1HTT

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-5008276-A Plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-16 US disclosed