SCHEMBL8588043

SCHEMBL8588043

NC(Cc1ccccc1)C(=O)N(CCCCN(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)CCC(NC=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
ANPEP P15144 1/20 0.42
DPP8 Q6V1X1 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
HTT P42858 1/20 0.39
DPP4 P27487 2/20 0.39
DPP9 Q86TI2 2/20 0.39
TGM2 P21980 1/20 0.39
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
FOLH1 Q04609 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36

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
SCHEMBL8588036 0.88 CCR6 (0.57) CCR6PAX8ANPEPDPP8DPP7
SCHEMBL8496673 0.86 CCR6 (0.43) CCR6PAX8ANPEPDPP8DPP7
SCHEMBL8588048 0.84 CCR6 (0.45) CCR6PAX8ANPEPDPP8DPP7
SCHEMBL413897 0.80 CCR6 (0.53) CCR6PAX8SLC1A3SLC1A1HTT
SCHEMBL418498 0.77 CCR6 (0.53) CCR6PAX8
SCHEMBL18560009 0.77 ANPEP (0.61) CCR6PAX8ANPEPDPP8DPP7
SCHEMBL8492258 0.76 MAPT (0.42) CCR6PAX8
SCHEMBL8496670 0.76 CCR6 (0.54) CCR6PAX8ANPEPDPP8DPP7
SCHEMBL8498134 0.76 CCR6 (0.48) CCR6PAX8ANPEPDPP8DPP7
SCHEMBL7945013 0.76 ANPEP (0.59) CCR6PAX8ANPEPDPP8DPP7

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
WO-1998050418-A1 CATIONIC AMPHIPHILES CONTAINING LINKERS DERIVED FROM NEUTRAL OR POSITIVELY CHARGED AMINO ACIDS GENZYME CORPORATION (US) 1998-11-12 WO disclosed