SCHEMBL6545868

SCHEMBL6545868

CCCCCCCN(CC(c1cccc(C=C(OCC)C(=O)OCC)c1)N(CCCCCCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
PPARA Q07869 4/20 0.32
PPARG P37231 2/20 0.32
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
GPX4 P36969 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 2/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL6360227 0.81 PPARA (0.42) EPHX2PPARAPPARGALDH1A1NPC1
SCHEMBL6360224 0.81 PPARA (0.42) EPHX2PPARAPPARGALDH1A1NPC1
SCHEMBL6546040 0.76 BACE1 (0.33) PPARAPPARG
SCHEMBL6747535 0.75 PPARG (0.38) PPARAPPARGCA14MAPTMEN1
SCHEMBL6747530 0.75 PPARG (0.38) PPARAPPARGCA14MAPTMEN1
SCHEMBL7193540 0.74 HDAC3 (0.32) PPARAPPARGCA14
SCHEMBL6746583 0.72 CA14 (0.32) EPHX2CA14MAPTMEN1KMT2A
SCHEMBL6746590 0.72 CA14 (0.32) EPHX2CA14MAPTMEN1KMT2A
SCHEMBL6357792 0.65 PPARA (0.43) PPARAPPARG
SCHEMBL140146 0.63 CA14 (0.55) CA14

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
EP-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 WO disclosed