SCHEMBL20845643

SCHEMBL20845643

CCC(C)C(=O)C(Cc1c[nH]c2ccccc12)NC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
APAF1 O14727 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
RECQL P46063 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ACE P12821 3/20 0.56
ALOX15 P16050 1/20 0.53
MMP9 P14780 2/20 0.52
MMP8 P22894 2/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
HTR2A P28223 2/20 0.51
ECE1 P42892 4/20 0.51
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50

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
SCHEMBL22800779 0.90 KDM4E (0.60) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL13213432 0.90 KDM4E (0.60) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL19487257 0.85 KDM4E (0.58) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL22800683 0.85 KDM4E (0.58) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL16750046 0.85 ACE (0.70) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL13233530 0.85 KDM4E (0.60) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL15592745 0.85 ACE (0.70) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL19737124 0.85 ACE (0.70) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL19386671 0.84 KDM4E (0.56) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL24421008 0.84 ACE (0.61) KDM4EAPAF1POLBMAPTRECQL

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-2019058367-A1 LIPOPHILIC PEPTIDE PRODRUGS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-03-28 WO disclosed