SCHEMBL7424015

SCHEMBL7424015

CC(C)CC(C(=O)O)N(CCc1ccc(-c2ccsc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MME P08473 3/20 0.39
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GRIA4 P48058 2/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
F7 P08709 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
MCHR1 Q99705 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
ECE1 P42892 1/20 0.34

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
SCHEMBL7420946 0.86 MMP2 (0.46) GPR88CTSLCTSBCTSSCTSK
SCHEMBL7424796 0.85 HPGD (0.38) GPR88MMEF7MCHR1MMP8
SCHEMBL7420384 0.84 MMP12 (0.46) GPR88CTSLCTSBCTSSCTSK
SCHEMBL7425601 0.84 MCHR1 (0.50) GPR88MMEMCHR1MMP2
SCHEMBL7427409 0.84 MMP12 (0.46) GPR88CTSLCTSBCTSSCTSK
SCHEMBL7421681 0.81 ALDH1A1 (0.35) GPR88CTSLCTSBCTSSCTSK
SCHEMBL7418362 0.81 PSEN1 (0.51) MMP2MMP9
SCHEMBL7419478 0.81 MMP2 (0.42) MMEF7MCHR1MMP2
SCHEMBL7417897 0.80 FOLH1 (0.45) MMEMMP8
SCHEMBL7378945 0.80 MEN1 (0.48) MMP2MMP9MMP8

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