SCHEMBL7428201

SCHEMBL7428201

CC(C)CC(NCC(C(=O)O)c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.46
SORT1 Q99523 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
FFAR1 O14842 2/20 0.37
FOLH1 Q04609 2/20 0.36
ACE2 Q9BYF1 4/20 0.36
ACE P12821 3/20 0.36

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
SCHEMBL7423140 0.87 CTSS (0.48) ALDH1A1MAPTCTSLCTSSCTSK
SCHEMBL7429170 0.86 ALDH1A1 (0.46) ALDH1A1MAPTCTSLCTSSCTSK
SCHEMBL7424624 0.86 GRN (0.44) GRNSORT1ALDH1A1MAPK1MAPT
SCHEMBL7419482 0.85 GRN (0.49) GRNSORT1ALDH1A1MAPK1LMNA
SCHEMBL7426514 0.85 ALDH1A1 (0.46) ALDH1A1MAPTCTSLCTSSCTSK
SCHEMBL7419023 0.83 GRN (0.47) GRNSORT1ALDH1A1MAPK1LMNA
SCHEMBL7422452 0.81 GRN (0.44) GRNSORT1ALDH1A1MAPK1LMNA
SCHEMBL7426644 0.80 GRN (0.50) GRNSORT1ALDH1A1MAPK1MAPT
SCHEMBL7422599 0.78 GRN (0.47) GRNSORT1ALDH1A1MAPK1LMNA
SCHEMBL7417901 0.78 FOLH1 (0.57) GRNSORT1ALDH1A1LMNAMAPT

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