SCHEMBL9699019

SCHEMBL9699019

O=C(O)CN(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
CCR6 P51684 1/20 0.60
PAX8 Q06710 1/20 0.60
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TGM2 P21980 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
FOLH1 Q04609 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.45
ANPEP P15144 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44

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
SCHEMBL413768 0.97 CCR6 (0.64) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL413839 0.96 CCR6 (0.62) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL13884597 0.95 CCR6 (0.61) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL415526 0.95 CCR6 (0.60) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL413798 0.94 CCR6 (0.59) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL10025427 0.93 CCR6 (0.58) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL9699451 0.88 CCR6 (0.64) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL10025433 0.88 CCR6 (0.61) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL10025426 0.87 CCR6 (0.60) HTTCCR6PAX8LMNASMN1; SMN2
SCHEMBL1919339 0.86 HTT (0.70) HTTCCR6PAX8LMNASMN1; 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