SCHEMBL9766146

SCHEMBL9766146

CC(C)(C)OC(=O)N(CCCO)CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.52
PAX8 Q06710 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.51
TGM2 P21980 1/20 0.49
CA14 Q9ULX7 1/20 0.49
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
FOLH1 Q04609 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SYK P43405 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9772169 0.94 MAPT (0.55) CCR6PAX8MAPTHTTTGM2
SCHEMBL22123600 0.93 HTT (0.53) CCR6PAX8MAPTHTTTGM2
SCHEMBL10647524 0.90 CCR6 (0.51) CCR6PAX8MAPTHTTTGM2
SCHEMBL13426204 0.90 MAPT (0.51) CCR6PAX8MAPTHTTTGM2
SCHEMBL20467679 0.90 CCR6 (0.51) CCR6PAX8MAPTHTTTGM2
SCHEMBL19732512 0.90 CCR6 (0.59) CCR6PAX8MAPTHTTTGM2
SCHEMBL9766263 0.89 MAPT (0.50) CCR6PAX8MAPTHTTTGM2
SCHEMBL4793682 0.89 MAPT (0.52) CCR6PAX8MAPTHTTTGM2
SCHEMBL34475270 0.88 SMN1; SMN2 (0.50) CCR6PAX8MAPTHTTTGM2
SCHEMBL20450596 0.88 CCR6 (0.48) CCR6PAX8MAPTHTTTGM2

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
US-4990536-A Immunopotentiator and spergualin-related compound therefor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-02-05 US disclosed
EP-0394684-A1 Immunopotentiator and spergualin-related compound therefor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-10-31 EP disclosed