SCHEMBL7423313

SCHEMBL7423313

CC(C)CC(NCC(C(=O)O)c1ccccc1C(F)(F)F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 2/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL7378949 0.78 MME (0.50) MMECTSSCTSK
SCHEMBL7421370 0.78 MME (0.41) MMECTSLCTSSCTSK
SCHEMBL7398069 0.77 P2RY14 (0.38) HPGDGRNSORT1
Hydrochloric Acid SCHEMBL4512930 0.76 CNR2 (0.46) CNR2HPGDSMN1; SMN2CTSS
SCHEMBL1927969 0.75 CNR2 (0.49) CNR2AKR1C3AKR1C2
SCHEMBL7424962 0.75 GRN (0.47) MMEGRNSORT1
SCHEMBL7418370 0.74 PSEN1 (0.60) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL7380130 0.74 LMNA (0.38) TP53HPGDMME
SCHEMBL7416089 0.73 ALOX5 (0.44) MMESORT1
SCHEMBL7424358 0.72 PSEN1 (0.49) TP53GRNSORT1PSEN1PSEN2

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