SCHEMBL7425006

SCHEMBL7425006

CC(C)CC(C(=O)O)N(CCc1nc(-c2cc(Cl)cc(Cl)c2)co1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.36
RXRA P19793 5/20 0.34
RXRB P28702 5/20 0.34
RXRG P48443 5/20 0.34
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
FOLH1 Q04609 1/20 0.30
APP P05067 1/20 0.30
CTRC Q99895 1/20 0.30

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
SCHEMBL7417287 0.88 NR4A2 (0.36) NR4A2RXRARXRBRXRGFOLH1
SCHEMBL7417310 0.86 NR4A2 (0.44) NR4A2RXRAFOLH1
SCHEMBL7419506 0.85 CES1 (0.38) NR4A2FOLH1
SCHEMBL7425812 0.84 GRN (0.33) NR4A2GRNSORT1
SCHEMBL7423853 0.81 PPARA (0.35) NR4A2GRNSORT1
SCHEMBL7426438 0.80 L3MBTL1 (0.34) NR4A2GRNSORT1
SCHEMBL7421104 0.80 GRN (0.32) NR4A2GRNSORT1
SCHEMBL7419478 0.77 MMP2 (0.42) RXRARXRBGRNSORT1APP
SCHEMBL7422281 0.76 SHMT1 (0.39) GRNSORT1
SCHEMBL7425444 0.75 NR4A2 (0.32) NR4A2

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 1 patent. 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