SCHEMBL11544717

SCHEMBL11544717

CCC(=O)C(CCCCCCOc1ccc(OCCO)cc1Cl)C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARD Q03181 6/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 3/20 0.40
THRA P10827 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL11614513 0.95 PPARA (0.44) PPARAPPARDPPARGL3MBTL1ALDH1A1
SCHEMBL11309550 0.88 MRGPRX4 (0.47) PPARAPPARDPPARGL3MBTL1ALDH1A1
Arildone SCHEMBL29807845 0.88 MRGPRX4 (0.47) PPARAPPARDPPARGL3MBTL1ALDH1A1
SCHEMBL11546537 0.88 MRGPRX4 (0.47) PPARAPPARDPPARGL3MBTL1ALDH1A1
Arildone SCHEMBL146967 0.88 MRGPRX4 (0.47) PPARAPPARDPPARGL3MBTL1ALDH1A1
SCHEMBL11308216 0.87 MRGPRX4 (0.48) PPARAPPARDPPARGL3MBTL1ALDH1A1
SCHEMBL11455904 0.86 NPC1 (0.43) PPARAPPARDPPARGL3MBTL1ALDH1A1
SCHEMBL11359845 0.84 MRGPRX4 (0.46) PPARAPPARDPPARGL3MBTL1ALDH1A1
Arildone SCHEMBL28264892 0.83 MRGPRX4 (0.43) PPARAL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL11796862 0.83 MAPT (0.56) L3MBTL1ALDH1A1TDP1MAPK1MAPT

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-4171365-A Antiviral aryloxyalkylpyrazoles STERLING DRUG INC. (US) 1979-10-16 US disclosed