SCHEMBL7335997

SCHEMBL7335997

CC(=O)N1CCN(C(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)[CH]CC(C)C(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CACNA1B Q00975 1/20 0.44
YAP1 P46937 4/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7348694 0.93 PPARG (0.48) PPARGMMEACECPA1ACE2
SCHEMBL7340760 0.92 CACNA1B (0.50) PPARGMMEACECPA1ACE2
SCHEMBL7343410 0.92 FAAH (0.50) PPARGKDM4ECACNA1BALDH1A1SMN1; SMN2
SCHEMBL7339837 0.92 PPARG (0.47) PPARGPOLBL3MBTL1KDM4EMME
SCHEMBL7341214 0.91 PPARG (0.47) PPARGL3MBTL1MAPTMMEACE
SCHEMBL7338702 0.91 PPARG (0.47) PPARGMMEACECPA1ACE2
SCHEMBL7347985 0.90 YAP1 (0.50) PPARGPOLBCACNA1BYAP1
SCHEMBL7337879 0.90 PPARG (0.45) PPARGMMEACECPA1ACE2
SCHEMBL7341683 0.90 PPARG (0.45) PPARGMMEACECPA1ACE2
SCHEMBL7343476 0.90 YAP1 (0.47) PPARGACECACNA1BYAP1NPC1

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