SCHEMBL7419986

SCHEMBL7419986

CC(C)CC(NCC(C(=O)O)c1cccc(Cc2cccc(Cl)c2)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGFR P43088 3/20 0.41
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
FOLH1 Q04609 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB3 P13945 5/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 3/20 0.39
HTRA1 Q92743 1/20 0.39
CTSB P07858 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
SCHEMBL7430645 0.94 GRN (0.44) MAPK1GRNSORT1FOLH1LMNA
SCHEMBL7426737 0.89 MAPK1 (0.41) MAPK1MEN1KMT2APTGFRGRN
SCHEMBL7421897 0.86 NR4A2 (0.49) MAPK1
SCHEMBL7419023 0.82 GRN (0.47) MAPK1GRNSORT1FOLH1LMNA
SCHEMBL7422599 0.82 GRN (0.47) MAPK1PTGFRGRNSORT1LMNA
SCHEMBL7424536 0.80 MAPK1 (0.42) MAPK1MEN1KMT2AGRNSORT1
SCHEMBL7378949 0.79 MME (0.50) FOLH1LMNAALDH1A1
SCHEMBL7424457 0.78 NR4A2 (0.48) MAPK1MEN1KMT2AGRNSORT1
SCHEMBL7427491 0.77 ENPP2 (0.45) MAPK1
SCHEMBL5870478 0.77 MAPK1 (0.55) MAPK1GRNSORT1FOLH1HTRA1

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