SCHEMBL7420946

SCHEMBL7420946

CC(C)CC(C(=O)O)N(CCc1cccc(-c2ccsc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
PRMT6 Q96LA8 1/20 0.44
PTGES O14684 1/20 0.40
CTSK P43235 2/20 0.38
GPR88 Q9GZN0 1/20 0.38
FFAR2 O15552 1/20 0.37
HTR1A P08908 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
F7 P08709 1/20 0.37
PTGS2 P35354 1/20 0.37
KAT6A Q92794 1/20 0.36
SLC6A9 P48067 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 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
SCHEMBL7424015 0.86 GPR88 (0.42) MMP2CTSKGPR88F7CTSL
SCHEMBL7424891 0.84 PTGS2 (0.43) MMP2MMP3PTGESGPR88ERAP2
SCHEMBL7422595 0.83 RXRA (0.40) PTGESERAP2ERAP1LNPEPF7
SCHEMBL7428411 0.81 CYP1A1 (0.40) PTGESCTSKGPR88HTR1A
SCHEMBL7378945 0.79 MEN1 (0.48) MMP2MMP3
SCHEMBL7421681 0.77 ALDH1A1 (0.35) CTSKGPR88CTSLCTSBCTSS
SCHEMBL7419980 0.75 AOC3 (0.46) SLC6A9
SCHEMBL5869134 0.75 FOLH1 (0.49) MMP2MMP3PRMT6CTSKHTR1A
SCHEMBL5869139 0.75 FOLH1 (0.49) MMP2MMP3PRMT6CTSKHTR1A
SCHEMBL5869128 0.75 FOLH1 (0.49) MMP2MMP3PRMT6CTSKHTR1A

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