SCHEMBL9699451

SCHEMBL9699451

O=C(NCCCN(CCO)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.64
PAX8 Q06710 1/20 0.64
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TGM2 P21980 1/20 0.54
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
FOLH1 Q04609 3/20 0.47
MAPT P10636 1/20 0.46
ANPEP P15144 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 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
SCHEMBL8032596 0.96 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL6265874 0.93 CCR6 (0.59) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL9698439 0.91 CCR6 (0.63) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2076254 0.90 CCR6 (0.62) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL415520 0.89 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL7858197 0.89 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL2076561 0.89 CCR6 (0.60) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL413768 0.89 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL416941 0.89 CCR6 (0.64) CCR6PAX8HTTLMNASMN1; SMN2
SCHEMBL9699019 0.88 HTT (0.63) CCR6PAX8HTTLMNASMN1; SMN2

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-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed