SCHEMBL7424796

SCHEMBL7424796

Cc1ccc(-c2ccc(CCN(C(=O)O)C(CC(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
MMP8 P22894 1/20 0.37
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MMP3 P08254 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 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
SCHEMBL7427409 0.88 MMP12 (0.46) MCHR1GPR88
SCHEMBL7425601 0.88 MCHR1 (0.50) HPGDMCHR1GPR88MMEACE
SCHEMBL7420384 0.88 MMP12 (0.46) MCHR1GPR88
SCHEMBL7424891 0.88 PTGS2 (0.43) PPARGPPARAGPR88PTGESMMP3
SCHEMBL7420011 0.86 SMN1; SMN2 (0.39) HPGDMEN1KMT2A
SCHEMBL7419478 0.85 MMP2 (0.42) MCHR1PPARGPPARAMMEACE
SCHEMBL7424015 0.85 GPR88 (0.42) MMP8MCHR1GPR88MMEF7
SCHEMBL7418362 0.85 PSEN1 (0.51) MMP3FFAR1
SCHEMBL7417897 0.85 FOLH1 (0.45) MMP8MMEACEMEN1KMT2A
SCHEMBL7378945 0.84 MEN1 (0.48) HPGDMMP8MMP3TDP1MEN1

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 2 patents. 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed