SCHEMBL10504076

SCHEMBL10504076

CC(C)CCCCCCCCCCCCCCC(=O)n1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ APAF1 O14727 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ EGLN3 Q9H6Z9 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ DNMT3A Q9Y6K1 1/20 0.40
▸ DEGS1 O15121 1/20 0.40

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
SCHEMBL1028856 0.92 ASAH1 (0.48) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL13092517 0.86 ASAH1 (0.66) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL10504808 0.81 ASAH1 (0.47) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL10504855 0.79 KMT2A (0.53) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL10503830 0.77 KMT2A (0.65) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL17322551 0.76 EGLN3 (0.51) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL7132708 0.75 ASAH1 (0.55) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9181106 0.74 TDP1 (0.62) SMN1; SMN2APAF1NPC1MAPTRAB9A
SCHEMBL6316254 0.74 ASAH1 (0.54) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL339546 0.74 ASAH1 (0.46) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0193307-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-09 — — EP disclosed
EP-0193307-A2 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-03 — — EP disclosed
Send feedback