SCHEMBL7338702

SCHEMBL7338702

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCSCC1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
ACE P12821 2/20 0.42
MME P08473 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
YAP1 P46937 6/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CACNA1B Q00975 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL7340760 0.91 CACNA1B (0.50) PPARGACEMMECPA1ACE2
SCHEMBL7348694 0.91 PPARG (0.48) PPARGACEMMECPA1ACE2
SCHEMBL7335997 0.91 PPARG (0.50) PPARGACEMMECPA1ACE2
SCHEMBL7341214 0.90 PPARG (0.47) PPARGMMP1MMP3ACEMME
SCHEMBL7339837 0.89 PPARG (0.47) PPARGACEMMECPA1ACE2
SCHEMBL7343476 0.89 YAP1 (0.47) PPARGACEYAP1CACNA1B
SCHEMBL7343410 0.89 FAAH (0.50) PPARGCACNA1B
SCHEMBL7341683 0.88 PPARG (0.45) PPARGACEMMECPA1ACE2
SCHEMBL7347985 0.88 YAP1 (0.50) PPARGYAP1CACNA1B
SCHEMBL7337879 0.88 PPARG (0.45) PPARGACEMMECPA1ACE2

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