SCHEMBL7419482

SCHEMBL7419482

CC(C)CC(NCC(C(=O)O)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.49
SORT1 Q99523 4/20 0.49
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
APP P05067 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL7422599 0.88 GRN (0.47) GRNSORT1PSEN1PSEN2APH1B
SCHEMBL7419023 0.86 GRN (0.47) GRNSORT1MAPK1ALDH1A1LMNA
SCHEMBL7428201 0.85 GRN (0.46) GRNSORT1CTSSCTSKMAPK1
SCHEMBL7424801 0.85 CTSS (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7425607 0.84 CTSL (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7426644 0.83 GRN (0.50) GRNSORT1MAPK1ALDH1A1POLB
SCHEMBL7427413 0.82 CTSS (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7420389 0.82 CTSS (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7424624 0.82 GRN (0.44) GRNSORT1CTSSCTSKMAPK1
SCHEMBL7424962 0.81 GRN (0.47) GRNSORT1APPMAPK1ALDH1A1

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