SCHEMBL7766716

SCHEMBL7766716

NCCCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.62
ALOX15 P16050 1/20 0.57
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
ACE P12821 3/20 0.56
ERAP2 Q6P179 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54

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
SCHEMBL7201043 0.90 KDM4E (0.61) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL8384762 0.88 MEN1 (0.62) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL6245120 0.88 MEN1 (0.62) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL8384759 0.88 MEN1 (0.62) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL6245123 0.88 MEN1 (0.62) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL6244059 0.88 MEN1 (0.62) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL6244061 0.88 MEN1 (0.62) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL28377319 0.88 MEN1 (0.62) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL31557352 0.88 ALOX15 (0.59) ALOX15ITGB2ICAM1ITGALMEN1
SCHEMBL28822323 0.87 MEN1 (0.61) ALOX15ITGB2ICAM1ITGALMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001088178-A2 PEPTIDE SUBSTRATES FOR DIRECT MEASURING OF ENZYME ACTIVITIES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2001-11-22 WO claimed
WO-2001088178-A2 PEPTIDE SUBSTRATES FOR DIRECT MEASURING OF ENZYME ACTIVITIES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2001-11-22 WO disclosed