SCHEMBL7426737

SCHEMBL7426737

CC(C)CC(NCC(C(=O)O)c1cccc(Cc2cccc(Cl)c2)c1)C(=O)OC(=O)C(CC(C)C)NCC(C(=O)O)c1cccc(Cc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
ADRB3 P13945 4/20 0.37
ADRB1 P08588 2/20 0.37
PTGFR P43088 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRB2 P07550 3/20 0.37
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
HTRA1 Q92743 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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 0.90 GRN (0.44) MAPK1GRNSORT1
SCHEMBL7419986 0.89 MAPK1 (0.48) MAPK1GRNSORT1ADRB3ADRB1
SCHEMBL7419023 0.78 GRN (0.47) MAPK1GRNSORT1CYP2C9CYP2C19
SCHEMBL7421897 0.78 NR4A2 (0.49) MAPK1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7424536 0.77 MAPK1 (0.42) MAPK1GRNSORT1MEN1KMT2A
SCHEMBL7422599 0.76 GRN (0.47) MAPK1GRNSORT1PTGFR
SCHEMBL7424624 0.71 GRN (0.44) MAPK1GRNSORT1MEN1KMT2A
SCHEMBL5869850 0.71 ACE2 (0.53) MAPK1GRNSORT1HTRA1
SCHEMBL5869853 0.71 ACE2 (0.53) MAPK1GRNSORT1HTRA1
SCHEMBL5869860 0.71 ACE2 (0.53) MAPK1GRNSORT1HTRA1

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