SCHEMBL13664877

SCHEMBL13664877

COC(=O)CCN(CCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.48
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TGM2 P21980 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
FOLH1 Q04609 1/20 0.44
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
SYK P43405 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
SCHEMBL22123600 0.89 HTT (0.53) HTTMAPTCCR6PAX8LMNA
SCHEMBL19879681 0.89 CCR6 (0.49) HTTMAPTCCR6PAX8CA14
SCHEMBL9772169 0.88 MAPT (0.55) HTTMAPTCCR6PAX8LMNA
SCHEMBL9766179 0.88 CCR6 (0.53) HTTMAPTCCR6PAX8LMNA
SCHEMBL9766146 0.87 CCR6 (0.52) HTTMAPTCCR6PAX8LMNA
SCHEMBL30135568 0.87 HTT (0.51) HTTMAPTCCR6PAX8LMNA
SCHEMBL30135570 0.87 HTT (0.51) HTTMAPTCCR6PAX8LMNA
SCHEMBL4927806 0.87 HTT (0.51) HTTMAPTCCR6PAX8LMNA
SCHEMBL10647524 0.86 CCR6 (0.51) HTTMAPTCCR6PAX8LMNA
SCHEMBL20467679 0.86 CCR6 (0.51) HTTMAPTCCR6PAX8LMNA

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed