SCHEMBL9766263

SCHEMBL9766263

CC(C)(C)OCCCN(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
TGM2 P21980 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
TPSAB1 Q15661 2/20 0.46
TPSD1 Q9BZJ3 2/20 0.46
TPSG1 Q9NRR2 2/20 0.46
CA14 Q9ULX7 1/20 0.45
FOLH1 Q04609 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
SYK P43405 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
SCHEMBL9772169 0.90 MAPT (0.55) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL9766146 0.89 CCR6 (0.52) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL9766293 0.89 LMNA (0.51) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL13426204 0.88 MAPT (0.51) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL4793682 0.87 MAPT (0.52) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL22123600 0.87 HTT (0.53) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL20467679 0.86 CCR6 (0.51) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL10647524 0.86 CCR6 (0.51) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL19732512 0.86 CCR6 (0.59) MAPTHTTLMNASMN1; SMN2CCR6
SCHEMBL15613005 0.85 SMN1; SMN2 (0.55) MAPTHTTLMNASMN1; SMN2CCR6

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