SCHEMBL9766293

SCHEMBL9766293

CCCCOCCCN(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 6/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45
TGM2 P21980 1/20 0.45
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
SYK P43405 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9766263 0.89 MAPT (0.50) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL9772169 0.88 MAPT (0.55) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL9766146 0.87 CCR6 (0.52) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL13426204 0.86 MAPT (0.51) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL4793682 0.85 MAPT (0.52) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL22123600 0.84 HTT (0.53) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL3485350 0.84 SMN1; SMN2 (0.66) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL21997180 0.84 LMNA (0.55) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL10647524 0.84 CCR6 (0.51) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL20467679 0.84 CCR6 (0.51) LMNASMN1; SMN2L3MBTL1MAPTHTT

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