SCHEMBL9010418

SCHEMBL9010418

CCOC(=O)CCn1ccc(=O)c(OC(=O)CCn2ccc(=O)c(OCc3ccccc3)c2C)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ HTT P42858 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ NPC1 O15118 1/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.54
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 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
Hydrochloric Acid SCHEMBL10711500 0.87 HTT (0.54) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8106191 0.84 HTT (0.70) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20382948 0.83 HTT (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3358984 0.80 HTT (0.75) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8100651 0.80 HTT (0.58) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8119717 0.80 HTT (0.58) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL9515266 0.80 HTT (0.67) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8092524 0.79 HTT (0.57) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8122829 0.79 HTT (0.73) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3357703 0.79 HTT (0.73) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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-0305646-B1 3-Hydroxypyrid-4-ones and pharmaceutical compositions BRITISH TECH GROUP (GB) 1996-11-13 — — EP disclosed
Send feedback