SCHEMBL7766713

SCHEMBL7766713

CCCCCN(N)C(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
APAF1 O14727 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MPO P05164 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
CCKBR P32239 10/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
BCHE P06276 1/20 0.51
NPC1 O15118 1/20 0.49

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
SCHEMBL7766717 1.00 KDM4E (0.55) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL14906259 0.87 BCHE (0.59) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL7201041 0.87 KDM4E (0.61) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL27763762 0.83 ACE (0.57) CCKBR
SCHEMBL30735894 0.79 KDM4E (0.64) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL3855611 0.79 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL3855614 0.79 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL29212821 0.79 KDM4E (0.68) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL9960361 0.79 KMT2A (0.60) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL11179965 0.79 KDM4E (0.54) KDM4EMAPTAPAF1POLBRECQL

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