SCHEMBL1749772

SCHEMBL1749772

CCCCCCCC(=O)N(C)Cc1ccc(-c2cccc(OCC)c2OC(=O)CC)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
POLM Q9NP87 2/20 0.37
POLK Q9UBT6 2/20 0.37
POLL Q9UGP5 2/20 0.37
POLH Q9Y253 2/20 0.37
BCHE P06276 6/20 0.36
ACHE P22303 6/20 0.36
SLC9A1 P19634 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2A P28223 1/20 0.33
TOP2A P11388 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE7A Q13946 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1749611 0.80 FFAR4 (0.35) ALDH1A1HPGDPOLMPOLKPOLL
SCHEMBL5764446 0.70 BCHE (0.36) ALDH1A1POLMPOLKPOLLPOLH
SCHEMBL15548325 0.69 POLM (0.55) POLMPOLKPOLLPOLHKDM4E
SCHEMBL15557849 0.69 POLM (0.55) POLMPOLKPOLLPOLHKDM4E
SCHEMBL15548183 0.68 POLM (0.53) POLMPOLKPOLLPOLHKDM4E
SCHEMBL15558253 0.66 L3MBTL1 (0.46) ALDH1A1MAPTACHEKDM4ENPC1
SCHEMBL15548020 0.65 LMNA (0.51) ALDH1A1MAPTPOLMPOLKPOLL
SCHEMBL15548977 0.65 LMNA (0.51) ALDH1A1MAPTPOLMPOLKPOLL
SCHEMBL15548404 0.65 LMNA (0.51) ALDH1A1MAPTPOLMPOLKPOLL
SCHEMBL15548164 0.65 LMNA (0.51) ALDH1A1MAPTPOLMPOLKPOLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968560-B2 Compounds that modulate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprising said compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-28 US claimed