SCHEMBL7345222

SCHEMBL7345222

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CO)CO)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
PTPN1 P18031 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
LTA4H P09960 2/20 0.43
GPR34 Q9UPC5 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL7335834 0.95 MME (0.50) PPARGMMP9MMP8MMEACE
SCHEMBL7338611 0.92 MMP9 (0.47) PPARGMMP9MMP8MMEACE
SCHEMBL7340102 0.92 MMP9 (0.47) PPARGMMP9MMP8MMEACE
SCHEMBL7338052 0.91 PPARG (0.49) PPARGMMP9MMP8MMEACE
SCHEMBL7338315 0.90 PPARG (0.52) PPARGMMP9MMP8MMEACE
SCHEMBL7344073 0.89 PPARG (0.62) PPARGMMP9MMP8MMEACE
SCHEMBL7346125 0.89 MME (0.52) PPARGMMP9MMP8MMEACE
SCHEMBL7339870 0.89 MME (0.49) PPARGMMP9MMP8MMEACE
SCHEMBL7341933 0.88 PPARG (0.50) PPARGMMP9MMP8MMEACE
SCHEMBL7337025 0.88 KLKB1 (0.52) PPARGMMP9MMP8MMEACE

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed