SCHEMBL7422452

SCHEMBL7422452

CC(C)CC(NCC(C(=O)O)c1ccccc1Oc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.44
SORT1 Q99523 3/20 0.44
MAPK1 P28482 1/20 0.39
BCL2L1 Q07817 1/20 0.39
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 2/20 0.37
TSPO P30536 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PTGFR P43088 3/20 0.36
LTA4H P09960 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7424962 0.82 GRN (0.47) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7428201 0.81 GRN (0.46) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7427491 0.80 ENPP2 (0.45) MAPK1
SCHEMBL8250493 0.76 ACE2 (0.48) GRNSORT1MAPK1BCL2L1LTA4H
SCHEMBL5869280 0.76 ACE2 (0.48) GRNSORT1MAPK1BCL2L1LTA4H
SCHEMBL7425294 0.74 MAPT (0.41) MAPK1
SCHEMBL7422599 0.73 GRN (0.47) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7419482 0.73 GRN (0.49) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7423140 0.72 CTSS (0.48) BCL2L1ALDH1A1
SCHEMBL7424624 0.72 GRN (0.44) GRNSORT1MAPK1ALDH1A1POLB

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed