SCHEMBL20099236

SCHEMBL20099236

CCC(C(=O)NCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O)N(CC(=O)NCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O)CC(=O)NCCCNC(=O)CCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.59
▸ LGALS3 P17931 2/20 0.47
▸ LGALS8 O00214 1/20 0.47
▸ LGALS4 P56470 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ B4GALT1 P15291 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL17640882 1.00 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL22857339 1.00 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL16693696 1.00 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL17236028 1.00 MAPK1 (0.59) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL16690926 0.99 MAPK1 (0.58) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL20099357 0.87 MAPK1 (0.45) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL17903961 0.87 MAPK1 (0.45) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL24022632 0.86 MAPK1 (0.52) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL24022639 0.86 MAPK1 (0.52) MAPK1LGALS3LGALS8LGALS4ALDH1A1
SCHEMBL27405135 0.86 MAPK1 (0.80) MAPK1LGALS3LGALS8LGALS4ALDH1A1

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
US-9957504-B2 Compositions and methods for modulating apolipoprotein (a) expression IONIS PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
Send feedback