SCHEMBL7426474

SCHEMBL7426474

CC(C)CC(NCC(C(=O)O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.52
FPR2 P25090 3/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GRIA4 P48058 1/20 0.37
MAPT P10636 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL7427045 1.00 GRIA2 (0.52) GRIA2FPR2NPC1RAB9AGRN
SCHEMBL7420632 0.85 ALDH1A1 (0.41) GRIA2NPC1RAB9AGRNSORT1
SCHEMBL7425540 0.84 DGAT1 (0.47) GRIA2NPC1RAB9AMEN1KMT2A
SCHEMBL7423535 0.81 SMN1; SMN2 (0.44) NPC1RAB9AGRNSORT1MEN1
SCHEMBL7421300 0.81 RAB9A (0.40) NPC1RAB9AGRNSORT1MEN1
SCHEMBL7426644 0.80 GRN (0.50) GRNSORT1MEN1KMT2ASMN1; SMN2
SCHEMBL7429170 0.80 ALDH1A1 (0.46) FPR2ALDH1A1MAPTCTSL
SCHEMBL7425607 0.79 CTSL (0.48) CTSL
SCHEMBL7428501 0.78 L3MBTL1 (0.46) FPR2NPC1RAB9AGRNSORT1
SCHEMBL5869763 0.78 FOLH1 (0.48) GRIA2FPR2NPC1RAB9AGRN

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